SCHEMBL9864075

SCHEMBL9864075

C=CCC(C)CCC(=CCCCC)CC(C)C=C

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
GRIK1 P39086 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
SCHEMBL1539785 0.89 ALDH1A1 (0.32) ALDH1A1TSHRGRIK1
SCHEMBL437199 0.87 ALDH1A1 (0.35) ALDH1A1TSHRGRIK1
SCHEMBL11406498 0.86 TSHR (0.36) ALDH1A1TSHR
SCHEMBL1793053 0.84 TSHR (0.39) TSHR
SCHEMBL8727286 0.84 TSHR (0.39) TSHR
SCHEMBL1645501 0.84 TSHR (0.39) TSHR
SCHEMBL8572198 0.82 TSHR (0.44) ALDH1A1TSHRGRIK1
SCHEMBL57322 0.79
SCHEMBL2357329 0.77 TSHR (0.31) TSHR
SCHEMBL7736783 0.77 ALDH1A1 (0.30) ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0260037-B1 CATALYTIC COPOLYMERISATION OF 4-METHYLPENTENE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-04-03 EP disclosed
EP-0260037-A1 Catalytic copolymerisation of 4-methylpentene SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-03-16 EP disclosed