SCHEMBL331381

SCHEMBL331381

NCC1(C2CCCCCC2)CCCCCC1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
TSHR P16473 1/20 0.31
BLM P54132 1/20 0.31
CACNA2D1 P54289 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL28009506 1.00 EPHX1 (0.32) EPHX1KDM4EMAPTUSP2ALDH1A1
SCHEMBL5183304 1.00 EPHX1 (0.32) EPHX1KDM4EMAPTUSP2ALDH1A1
SCHEMBL19315953 1.00 EPHX1 (0.32) EPHX1KDM4EMAPTUSP2ALDH1A1
SCHEMBL16599675 0.97 KDM4E (0.32) KDM4EMAPT
SCHEMBL18955033 0.97 KDM4E (0.32) KDM4EMAPT
SCHEMBL5243316 0.95 KDM4E (0.31) KDM4EMAPT
SCHEMBL21280953 0.92 EPHX1 (0.33) EPHX1
SCHEMBL1362200 0.92 EPHX1 (0.33) EPHX1
Hydrochloric Acid SCHEMBL3795500 0.90 KDM4E (0.33) EPHX1KDM4EMAPTLMNABLM
SCHEMBL15547078 0.90

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10067266-B2 Method of producing resin for thiourethane-based optical material using general-purpose polyisocyanate compound, resin composition for thiourethane-based optical material and thiourethane-based optical material including resin produced by the method KOC SOLUTION CO., LTD. (KR) 2018-09-04 US claimed
EP-2682430-B1 METHOD FOR MANUFACTURING RESIN FOR THIOURETHANE-BASED OPTICAL MATERIAL USING UNIVERSAL POLYISOCYANATE COMPOUND, RESIN COMPOSITION, AND OPTICAL MATERIAL MANUFACTURED THEREBY KOC SOLUTION CO LTD (KR) 2015-10-21 EP claimed
US-20140039145-A1 METHOD OF PRODUCING RESIN FOR THIOURETHANE-BASED OPTICAL MATERIAL USING GENERAL-PURPOSE POLYISOCYANATE COMPOUND, RESIN COMPOSITION FOR THIOURETHANE-BASED OPTICAL MATERIAL AND THIOURETHANE-BASED OPTICAL MATERIAL INCLUDING RESIN PRODUCED BY THE METHOD KOC SOLUTION CO LTD (KR) 2014-02-06 US claimed
EP-2682430-A2 METHOD FOR MANUFACTURING RESIN FOR THIOURETHANE-BASED OPTICAL MATERIAL USING UNIVERSAL POLYISOCYANATE COMPOUND, RESIN COMPOSITION, AND OPTICAL MATERIAL MANUFACTURED THEREBY Koc Solution Co.,LTD. (KR) 2014-01-08 EP claimed
CN-1183109-A Epoxy resin composition SHELL INT RESEARCH (NL) 1998-05-27 CN claimed
EP-0822953-A1 EPOXY RESIN COMPOSITION SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1998-02-11 EP claimed
WO-1996034032-A1 EPOXY RESIN COMPOSITION SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 1996-10-31 WO claimed
EP-2497791-B1 METHOD FOR PRODUCING INTERNAL MOLD RELEASE AGENT FOR OPTICAL MATERIAL, INTERNAL MOLD RELEASE AGENT FOR OPTICAL MATERIAL, AND POLYMERIZABLE COMPOSITION INCLUDING THE SAME MITSUI CHEMICALS INC (JP) 2020-05-13 EP disclosed
EP-2682430-B2 METHOD FOR MANUFACTURING RESIN FOR THIOURETHANE-BASED OPTICAL MATERIAL USING UNIVERSAL POLYISOCYANATE COMPOUND, RESIN COMPOSITION, AND OPTICAL MATERIAL MANUFACTURED THEREBY KOC SOLUTION CO LTD (KR) 2019-07-17 EP disclosed
US-10106660-B2 Film containing a resin having a thiourethane bond and uses thereof MITSUI CHEMICALS, INC. (JP) 2018-10-23 US disclosed
US-10067266-B2 Method of producing resin for thiourethane-based optical material using general-purpose polyisocyanate compound, resin composition for thiourethane-based optical material and thiourethane-based optical material including resin produced by the method KOC SOLUTION CO., LTD. (KR) 2018-09-04 US disclosed
EP-2295484-B1 POLYMERIZABLE COMPOSITION FOR POLYTHIOURETHANE OPTICAL MATERIAL, POLYTHIOURETHANE OPTICAL MATERIAL OBTAINED FROM SAME POLYMERIZABLE COMPOSITION, AND POLYMERIZATION CATALYST FOR POLYTHIOURETHANE OPTICAL MATERIAL MITSUI CHEMICALS INC (JP) 2018-01-17 EP disclosed
EP-2407498-B1 Polymerizable composition for polythiourethane optical material, polythiourethane optical material obtained from the polymerizable composition, and polymerization catalyst for polythiourethane optical material MITSUI CHEMICALS INC (JP) 2017-11-15 EP disclosed
US-20020019511-A1 Polymerizable composition MORIJIRI HIROYUKI (JP) 2002-02-14 US disclosed
US-6300464-B2 HIGH HEAT RESISTANCE AND REFRACTIVE INDEX, LOW SPECIFIC GRAVITY; POLYMERS CONTAINING THIO(EPOXY) AND AT LEAST ONE DISULFIDE BOND MITSUI CHEMICAL, INC. (JP) 2001-10-09 US disclosed
US-20010002413-A1 Polymerizable composition MORIJIRI HIROYUKI (JP) 2001-05-31 US disclosed
US-6204311-B1 (THIO)EPOXY COMPOUND HAVING AT LEAST ONE INTRAMOLECULAR DISULFIDE BOND AND A CURING CATALYST. MITSUI CHEMICALS, INC. (JP) 2001-03-20 US disclosed
EP-1058133-A2 Polymerizable composition and process for producing optical resin comprising the same Mitsui Chemicals, Inc. (JP) 2000-12-06 EP disclosed
EP-0942027-A2 A polymerizable composition Mitsui Chemicals, Inc. (JP) 1999-09-15 EP disclosed
CN-1183109-A Epoxy resin composition SHELL INT RESEARCH (NL) 1998-05-27 CN disclosed