SCHEMBL8986491

SCHEMBL8986491

B.CCC(C)N(C(C)C)C(C)C

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
SCHEMBL572666 0.97 TSHR (0.33) TSHR
SCHEMBL12903899 0.97 TSHR (0.33) TSHR
SCHEMBL2479532 0.90 TSHR (0.33) TSHR
SCHEMBL63974 0.82 TSHR (0.38) TSHR
SCHEMBL11799780 0.82 TSHR (0.38) TSHR
SCHEMBL20906936 0.79
SCHEMBL17102763 0.79
SCHEMBL530580 0.75
SCHEMBL21558503 0.73 ALDH1A1 (0.34) TSHR
SCHEMBL25887959 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5481038-A Borane-N,N-diisopropylalkylamine hydroboration agents ALDRICH CHEMICAL COMPANY, INC. (US) 1996-01-02 US claimed
US-5481038-A Borane-N,N-diisopropylalkylamine hydroboration agents ALDRICH CHEMICAL COMPANY, INC. (US) 1996-01-02 US disclosed