SCHEMBL2895430

SCHEMBL2895430

O=C=NC(C1CCCCCCCCC1)(C1CCCCCCCCC1)C1CCCCCCCCC1

nearest known ligand 0.42

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL29220071 1.00 ALDH1A1 (0.42) ALDH1A1
SCHEMBL33116 0.85 ALDH1A1 (0.42) ALDH1A1
Ammonia Solution, Strong SCHEMBL11196537 0.83 ALDH1A1 (0.41) ALDH1A1
Water SCHEMBL5680139 0.83 ALDH1A1 (0.41) ALDH1A1
SCHEMBL28176806 0.83 ALDH1A1 (0.41) ALDH1A1
SCHEMBL17375996 0.80 ALDH1A1 (0.42) ALDH1A1
SCHEMBL30303208 0.79 ALDH1A1 (0.38) ALDH1A1
SCHEMBL28300286 0.79 ALDH1A1 (0.38) ALDH1A1
SCHEMBL6232811 0.79 ALDH1A1 (0.38) ALDH1A1
SCHEMBL9795387 0.76 ALDH1A1 (0.39) ALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023229048-A1 OPTICAL MATERIAL AND EYEGLASS LENS 三井化学株式会社 2023-11-30 WO disclosed
US-8394891-B2 Additive for polymerizable composition, polymerizable composition containing the same and use of the polymerizable composition MITSUI CHEMICALS, INC. (JP) 2013-03-12 US disclosed
US-20100286334-A1 ADDITIVE FOR POLYMERIZABLE COMPOSITION, POLYMERIZABLE COMPOSITION CONTAINING THE SAME AND USE OF THE POLYMERIZABLE COMPOSITION MITSUI CHEMICALS, INC. (JP) 2010-11-11 US disclosed
US-7354989-B2 Thioepoxy based polymerizable composition and method for production thereof MITSUI CHEMICALS, INC. (JP) 2008-04-08 US disclosed
US-20050124783-A1 Thioepoxy based polymerizable composition and method for production thereof MITSUI CHEMICALS, INC. (JP) 2005-06-09 US disclosed
EP-1484352-A1 THIOEPOXY BASED POLYMERIZABLE COMPOSITION AND METHOD FOR PRODUCTION THEREOF MITSUI CHEMICALS, INC. (JP) 2004-12-08 EP 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 (1 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-20100286334-A1 ADDITIVE FOR POLYMERIZABLE COMPOSITION, POLYMERIZABLE COMPOSITION CONTAINING THE SAME AND USE OF THE POLYMERIZABLE COMPOSITION B2M, MSH2, PBRM1 ALDH1A1 3728/4885

“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.