SCHEMBL2201062

SCHEMBL2201062

[CH2]C(C)CCCCCCCCCCCCCCCCCCCCCCCCC

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.50
TSHR P16473 1/20 0.47
THRB P10828 1/20 0.47
GPR84 Q9NQS5 3/20 0.46
SPHK1 Q9NYA1 1/20 0.46
FFAR1 O14842 1/20 0.46
LMNA P02545 1/20 0.46
DNM1 Q05193 2/20 0.46
ADH1B P00325 1/20 0.43
ADH1C P00326 1/20 0.43
ADH1A P07327 1/20 0.43
ADH4 P08319 1/20 0.43
ADH7 P40394 1/20 0.43
ACE2 Q9BYF1 1/20 0.41
FDPS P14324 3/20 0.41
CA1 P00915 1/20 0.41

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
SCHEMBL6348875 1.00
SCHEMBL200216 1.00 OPRM1 (0.50) OPRM1TSHRTHRBGPR84SPHK1
SCHEMBL100862 1.00 OPRM1 (0.50) OPRM1TSHRTHRBGPR84SPHK1
SCHEMBL2201684 1.00 OPRM1 (0.50) OPRM1TSHRTHRBGPR84SPHK1
SCHEMBL201087 1.00 OPRM1 (0.50) OPRM1TSHRTHRBGPR84SPHK1
SCHEMBL2201024 1.00 OPRM1 (0.50) OPRM1TSHRTHRBGPR84SPHK1
SCHEMBL101122 1.00 OPRM1 (0.50) OPRM1TSHRTHRBGPR84SPHK1
SCHEMBL21899376 1.00 OPRM1 (0.50) OPRM1TSHRTHRBGPR84SPHK1
SCHEMBL22407240 1.00 OPRM1 (0.50) OPRM1TSHRTHRBGPR84SPHK1
SCHEMBL26044 1.00 OPRM1 (0.50) OPRM1TSHRTHRBGPR84SPHK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1964861-B1 ACETYLENE-BASED POLYMER NAT INST OF ADVANCED IND SCIEN (JP) 2012-10-17 EP disclosed
US-7977441-B2 Acetylene-based polymer NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2011-07-12 US disclosed
US-20090253872-A1 Acetylene-Based Polymer NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2009-10-08 US disclosed
EP-1964861-A1 ACETYLENE POLYMER National Institute of Advanced Industrial Science and Technology (JP) 2008-09-03 EP disclosed