SCHEMBL7932503

SCHEMBL7932503

CCCCC[Al](CC(C)C)CC(C)C

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.35
THRB P10828 1/20 0.35
OPRM1 P35372 1/20 0.35
TRPM8 Q7Z2W7 6/20 0.33
DNM1 Q05193 1/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL3673386 0.97 TSHR (0.40) TSHRTHRBOPRM1TRPM8DNM1
SCHEMBL80551 0.97 TSHR (0.40) TSHRTHRBOPRM1TRPM8DNM1
SCHEMBL3671630 0.92 TSHR (0.40) TSHRTHRBOPRM1TRPM8DNM1
SCHEMBL180874 0.92 TSHR (0.40) TSHRTHRBOPRM1TRPM8DNM1
SCHEMBL78510 0.92 TSHR (0.40) TSHRTHRBOPRM1TRPM8DNM1
SCHEMBL733085 0.92 TSHR (0.33) TSHRTHRBOPRM1TRPM8LMNA
SCHEMBL11664749 0.90 TSHR (0.38) TSHRTHRBOPRM1TRPM8DNM1
SCHEMBL27507309 0.90 TSHR (0.38) TSHRTHRBOPRM1TRPM8DNM1
SCHEMBL818787 0.90 TSHR (0.38) TSHRTHRBOPRM1TRPM8DNM1
SCHEMBL25231381 0.90 TSHR (0.32) TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6268518-B1 AS POLYMERIZATION CATALYSTS FOR POLYMERIZATION OF OLEFINS MONTELL TECHNOLOGY COMPANY B.V. (NL) 2001-07-31 US disclosed