SCHEMBL9770771

SCHEMBL9770771

CC(C)(C)C(O)Cc1c[nH]nn1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 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
SCHEMBL5014122 0.79
SCHEMBL5137899 0.78
SCHEMBL8052676 0.78
SCHEMBL6438961 0.76
SCHEMBL9051532 0.75
SCHEMBL5023567 0.73
SCHEMBL3954210 0.71 TRPA1 (0.43)
SCHEMBL16098658 0.71
SCHEMBL4954514 0.71
SCHEMBL7568307 0.69 TYR (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4715887-A FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 1987-12-29 US claimed
US-4999043-A Triazolylmethyl tert-butyl carbinol derivatives which have plant growth regulating properties IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-03-12 US disclosed
EP-0032200-B1 SUBSTITUTED TRIAZOLYLMETHYL-TERT.-BUTYL-CARBINOLS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS PLANT PROTECTING AGENTS AS WELL AS INTERMEDIATES BAYER AG (DE) 1983-07-13 EP disclosed
US-4315764-A FUNGICIDES, PLANT GROWTH REGULATORS BAYER AKTIENGESELLSCHAFT (DE) 1982-02-16 US disclosed