SCHEMBL11054555

SCHEMBL11054555

CCC(CC)(CC)N=C=O

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32
CASP1 P29466 1/20 0.32

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
SCHEMBL11216884 0.88
SCHEMBL4769683 0.84
SCHEMBL8693788 0.78
SCHEMBL11407031 0.77
SCHEMBL25169840 0.77 GGPS1 (0.36) TSHR
SCHEMBL8763217 0.77 GGPS1 (0.36) TSHR
SCHEMBL9561870 0.75 TSHR (0.32) TSHRCASP1
SCHEMBL17138411 0.75 TSHR (0.32) TSHRCASP1
SCHEMBL28337220 0.73
SCHEMBL539979 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0025907-B1 HALOGENATED TERTIARY ALKYL ISOCYANATES AND PROCESS FOR THEIR PREPARATION BASF Aktiengesellschaft (DE) 1984-06-20 EP disclosed
US-4344891-A Halogenated tertiary alkyl isocyanates and their preparation BASF AKTIENGESELLSCHAFT (DE) 1982-08-17 US disclosed
EP-0025907-A1 Halogenated tertiary alkyl isocyanates and process for their preparation BASF Aktiengesellschaft (DE) 1981-04-01 EP disclosed
US-4238404-A N-CHLOROAMIDE, TERTIARY AMINE AKZONA INCORPORATED (US) 1980-12-09 US disclosed
US-4223145-A THERMAL DECOMPOSITION OF HYDROCHLORIDE OF TRISUBSTITUTED UREA AKZO N.V. (NL) 1980-09-16 US disclosed