SCHEMBL7735833

SCHEMBL7735833

C=CCNC1CCC(NCC=C)CC1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.39
DPP7 Q9UHL4 1/20 0.37
SIGMAR1 Q99720 1/20 0.35
HTR1A P08908 4/20 0.33
ALDH1A1 P00352 1/20 0.32
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
RIPK2 O43353 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
SCHEMBL530785 1.00
SCHEMBL538845 0.89
SCHEMBL818299 0.89
SCHEMBL5863700 0.88 EPHX2 (0.38) KMT2ADPP7SIGMAR1HTR1AALDH1A1
SCHEMBL10399360 0.88 ALDH1A1 (0.33) KMT2ADPP7SIGMAR1ALDH1A1OPRM1
SCHEMBL368439 0.88 HTR1A (0.35) KMT2ADPP7SIGMAR1HTR1A
SCHEMBL4900932 0.88 KMT2A (0.33) KMT2ADPP7SIGMAR1RIPK2
SCHEMBL5863695 0.88 EPHX2 (0.38) KMT2ADPP7SIGMAR1HTR1AALDH1A1
SCHEMBL20651185 0.88 KMT2A (0.42) KMT2ADPP7SIGMAR1
SCHEMBL7536595 0.87 DPP7 (0.52) KMT2ADPP7ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3168256-B1 EYEWEAR MATERIAL COMPRISING A POLYURETHANE RESIN, EYEWEAR FRAME AND LENS MITSUI CHEMICALS INC (JP) 2019-08-07 EP disclosed
EP-3037411-B1 1,4-BIS(ISOCYANATOMETHYL)CYCLOHEXANE, POLYISOCYANATE COMPOSITION, POLYURETHANE RESIN, MOLDED ARTICLE, EYEWEAR MATERIAL, EYEWEAR FRAME AND LENS MITSUI CHEMICALS INC (JP) 2019-03-27 EP disclosed
EP-3168256-A1 1,4-BIS(ISOCYANATOMETHYL)CYCLOHEXANE, POLYISOCYANATE COMPOSITION, POLYURETHANE RESIN, MOLDED ARTICLE, EYEWEAR MATERIAL, EYEWEAR FRAME, AND LENS Mitsui Chemicals, Inc. (JP) 2017-05-17 EP disclosed
US-9475903-B2 1,4-bis(isocyanatomethyl)cyclohexane, polyisocyanate composition, polyurethane resin, molded article, eyewear material, eyewear frame, and lens MITSUI CHEMICALS, INC. (JP) 2016-10-25 US disclosed
US-9477012-B2 1,4-bis(isocyanatomethyl)cyclohexane, polyisocyanate composition, polyurethane resin, molded article, eyewear material, eyewear frame, and lens MITSUI CHEMICALS, INC. (JP) 2016-10-25 US disclosed
EP-3037411-A1 1,4-BIS(ISOCYANATOMETHYL)CYCLOHEXANE, POLYISOCYANATE COMPOSITION, POLYURETHANE RESIN, MOLDED PRODUCT, EYEWEAR MATERIAL, EYEWEAR FRAME AND LENS Mitsui Chemicals, Inc. (JP) 2016-06-29 EP disclosed
US-20150342276-A1 1,4-BIS(ISOCYANATOMETHYL)CYCLOHEXANE, POLYISOCYANATE COMPOSITION, POLYURETHANE RESIN, MOLDED ARTICLE, EYEWEAR MATERIAL, EYEWEAR FRAME, AND LENS MITSUI CHEMICALS, INC. (JP) 2015-12-03 US disclosed
US-20150346387-A1 1,4-BIS(ISOCYANATOMETHYL)CYCLOHEXANE, POLYISOCYANATE COMPOSITION, POLYURETHANE RESIN, MOLDED ARTICLE, EYEWEAR MATERIAL, EYEWEAR FRAME, AND LENS MITSUI CHEMICALS, INC. (JP) 2015-12-03 US disclosed
US-6403752-B1 REACTING BY HIGH-PRESSURE IMPINGEMENT MIXING POLYSOCYANATE REACTANT WITH ONE EQUIVALENT OF ONE OR MORE POLYAMINES OR BLENDS OF POLYAMINES WITH POLYOLS UOP LLC 2002-06-11 US disclosed