SCHEMBL9737608

SCHEMBL9737608

C=CCCCC(CCC=C)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL9736682 0.85 TSHR (0.46) TSHRALDH1A1
SCHEMBL3119319 0.83 TSHR (0.36) TSHRALDH1A1
SCHEMBL18720849 0.80 PDF (0.33)
SCHEMBL19053600 0.77 TSHR (0.39) TSHRALDH1A1
Ammonia Solution, Strong SCHEMBL3119315 0.73 TSHR (0.39) TSHRALDH1A1
SCHEMBL9752653 0.71 TSHR (0.37) TSHRALDH1A1
SCHEMBL3112090 0.70 TSHR (0.36) TSHRALDH1A1
SCHEMBL3446490 0.69 TSHR (0.35) TSHRALDH1A1
SCHEMBL4824749 0.69 TSHR (0.43) TSHRALDH1A1
SCHEMBL2139429 0.69 ALDH1A1 (0.43) TSHRALDH1A1

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-5118901-A By-product inhibition during upgrading PHILLIPS PETROLEUM COMPANY (US) 1992-06-02 US disclosed
US-5063191-A Dimerization, isomerization PHILLIPS PETROLEUM COMPANY (US) 1991-11-05 US disclosed