Isothiocyanate

Isothiocyanate

SCHEMBL332187

CC1CCCCC1.N=C=S.N=C=S

nearest known ligand 0.34

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.34
EPHX1 P07099 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Isothiocyanate SCHEMBL2820375 1.00 ACHE (0.34) ACHEEPHX1POLBKMT2A
Isothiocyanate SCHEMBL28474246 1.00 ACHE (0.34) ACHEEPHX1POLBKMT2A
Carbimide SCHEMBL471891 0.88 ACHE (0.37) ACHEEPHX1POLBKMT2A
SCHEMBL28843554 0.82 KMT2A (0.39) ACHEEPHX1KMT2A
SCHEMBL265848 0.82 KMT2A (0.39) ACHEEPHX1KMT2A
SCHEMBL27523277 0.82 KMT2A (0.39) ACHEEPHX1KMT2A
SCHEMBL15575 0.82 KMT2A (0.39) ACHEEPHX1KMT2A
Cyclohexane SCHEMBL9547725 0.82 KMT2A (0.39) ACHEEPHX1KMT2A
SCHEMBL498527 0.82 KMT2A (0.39) ACHEEPHX1KMT2A
Cycloheptane SCHEMBL23885013 0.80 ACHE (0.43) ACHEEPHX1POLBKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 264 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105646835-B The manufacture method of polymerizable composition for optical material, optical material and optical material 三井化学株式会社 2018-05-04 CN claimed
CN-102186897-B Polymerizable composition for optical material, and method for producing optical material MITSUI CHEMICALS, INC. (JP) 2016-01-20 CN claimed
US-12630694-B2 Polythiol composition, polymerizable composition, resin, molded body, optical material, and lens MITSUI CHEMICALS, INC. (JP) 2026-05-19 US disclosed
EP-3861977-B1 (METH)ACRYLATE, MONOMER COMPOSITION, MOLDED BODY, COMPOSITION FOR DENTAL MATERIAL, AND DENTAL MATERIAL MITSUI CHEMICALS INC (JP) 2026-05-06 EP disclosed
EP-4733341-A1 POLYMERIZABLE COMPOSITION AND METHOD FOR PRODUCING SAME, RESIN, MOLDED BODY, OPTICAL MATERIAL, AND LENS Mitsui Chemicals, Inc. (JP) 2026-04-29 EP disclosed
US-12605306-B2 Method of manufacturing monomer composition, raw material composition, monomer composition, curable composition, and molded body MITSUI CHEMICALS, INC. (JP) 2026-04-21 US disclosed
US-12583964-B2 Polythiol composition, polymerizable composition, resin, molded article, optical material, and lens MITSUI CHEMICALS, INC. (JP) 2026-03-24 US disclosed
EP-4198617-B1 POLYTHIOL COMPOSITION, POLYMERIZABLE COMPOSITION, RESIN, MOLDED ARTICLE, OPTICAL MATERIAL, AND LENS MITSUI CHEMICALS INC (JP) 2026-01-28 EP disclosed
US-12441821-B2 (Meth)acrylate and use thereof MITSUI CHEMICALS, INC. (JP) 2025-10-14 US disclosed
EP-4603524-A1 POLYTHIOL COMPOSITION, POLYMERIZABLE COMPOSITION, RESIN, MOLDED BODY, OPTICAL MATERIAL, AND LENS Mitsui Chemicals, Inc. (JP) 2025-08-20 EP disclosed
EP-4603479-A1 POLYTHIOL COMPOSITION, POLYMERIZABLE COMPOSITION, RESIN, MOLDED BODY, OPTICAL MATERIAL AND LENS Mitsui Chemicals, Inc. (JP) 2025-08-20 EP disclosed
EP-2051129-A1 PLASTIC POLARIZING LENS AND METHOD FOR PRODUCING THE SAME Mitsui Chemicals, Inc. (JP) 2009-04-22 EP disclosed
US-7506977-B1 Plastic spectacles lens HOPNIC LABORATORY CO., LTD. (JP) 2009-03-24 US disclosed
CN-101384636-A Polymerizable composition for polythiourethane optical material MITSUI CHEMICALS INC (JP) 2009-03-11 CN disclosed
CN-101370841-A Internal mold release agent for producing polythiourethane optical material MITSUI CHEMICALS INC (JP) 2009-02-18 CN disclosed
EP-1988110-A1 INTERNAL MOLD RELEASE AGENT FOR PRODUCTION OF POLYTHIOURETHANE OPTICAL MATERIAL Mitsui Chemicals, Inc. (JP) 2008-11-05 EP disclosed
EP-1988109-A1 POLYMERIZABLE COMPOSITION FOR POLYTHIOURETHANE OPTICAL MATERIAL Mitsui Chemicals, Inc. (JP) 2008-11-05 EP disclosed
US-20080036964-A1 Plastic polarized lens and method of producing the same MITSUI CHEMICALS, INC. (JP) 2008-02-14 US disclosed
WO-2004011506-A1 A HIGH REFRACTIVE INDEX POLYMERIZABLE COMPOSITION PPG INDUSTRIES OHIO, INC. (US) 2004-02-05 WO disclosed
US-20040021133-A1 High refractive index polymerizable composition PPG INDUSTRIES OHIO, INC. 2004-02-05 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-12630694-B2 Polythiol composition, polymerizable composition, resin, molded body, optical material, and lens TXNL1, ALG3, TCOF1 ACHE 4007/4885EPHX1 3164/4885POLB 4092/4885
US-12605306-B2 Method of manufacturing monomer composition, raw material composition, monomer composition, curable composition, and molded body ADH1A, ADH1C, ADH5 ACHE 2955/4885EPHX1 3072/4885POLB 743/4885
US-12441821-B2 (Meth)acrylate and use thereof TST, MMAB, BHMT2 ACHE 1730/4885EPHX1 3940/4885POLB 2615/4885
US-12583964-B2 Polythiol composition, polymerizable composition, resin, molded article, optical material, and lens EPN1, SEM1, PFN1 ACHE 2708/4885EPHX1 483/4885POLB 4099/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.