SCHEMBL7218403

SCHEMBL7218403

C=COCCOCC1COC(=O)O1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL6553153 0.87 TSHR (0.40) TSHRALDH1A1
SCHEMBL1399460 0.85 CYP3A4 (0.38) TSHRCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL17461572 0.85 TSHR (0.39) TSHRALDH1A1
SCHEMBL9232246 0.82 TSHR (0.38) TSHRALDH1A1
SCHEMBL8586989 0.81 TSHR (0.37) TSHRALDH1A1
SCHEMBL7155699 0.81 TSHR (0.37) TSHRALDH1A1
SCHEMBL23498753 0.80 TSHR (0.35) TSHRALDH1A1
SCHEMBL16675416 0.80 TSHR (0.52) TSHRALDH1A1
SCHEMBL16663913 0.80 TSHR (0.47) TSHRALDH1A1
SCHEMBL29893555 0.80 TSHR (0.49) TSHRCYP3A4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999064484-A1 POLYMERIZATION OF VINYL ETHERS MOLTECH CORPORATION (US) 1999-12-16 WO claimed
US-6627762-B1 Curable Henkel IP & Holding GmbH (DE) 2003-09-30 US disclosed
WO-1999064484-A1 POLYMERIZATION OF VINYL ETHERS MOLTECH CORPORATION (US) 1999-12-16 WO disclosed