SCHEMBL9650355

SCHEMBL9650355

CCCC(O)OC(CC)N(C)C

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
LMNA P02545 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
SCHEMBL2121872 0.75 TSHR (0.56) TSHRLMNA
SCHEMBL530010 0.75 TSHR (0.33) TSHR
SCHEMBL10718880 0.74 TSHR (0.72) TSHRLMNA
SCHEMBL28516652 0.71 LMNA (0.31) LMNA
Ethylene SCHEMBL29100490 0.71 TSHR (0.50) TSHRLMNA
SCHEMBL9093559 0.71 TSHR (0.43) TSHRLMNA
SCHEMBL18762854 0.71
SCHEMBL6230777 0.70 TSHR (0.43) TSHRLMNA
SCHEMBL6227675 0.69
SCHEMBL2167547 0.69

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
US-5091583-A Also provides extended pot life AIR PRODUCTS AND CHEMICALS, INC. (US) 1992-02-25 US disclosed
US-5071809-A TERTIARY AMINE CATALYSTS FOR POLYURETHANES AIR PRODUCTS AND CHEMICALS, INC. (US) 1991-12-10 US disclosed
EP-0456194-A2 Tertiary amine catalysts for polyurethanes AIR PRODUCTS AND CHEMICALS, INC. (US) 1991-11-13 EP disclosed