SCHEMBL9736682

SCHEMBL9736682

C=CCCC(CCCCC)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
ALDH1A1 P00352 1/20 0.44
FDPS P14324 1/20 0.35
PLA2G2C Q5R387 1/20 0.35
OPRM1 P35372 1/20 0.32
LMNA P02545 1/20 0.30

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
SCHEMBL9737608 0.85 TSHR (0.39) TSHRALDH1A1
SCHEMBL27947143 0.80 FDPS (0.48) TSHRFDPSOPRM1LMNA
SCHEMBL29344416 0.80 FDPS (0.48) TSHRFDPSOPRM1LMNA
SCHEMBL5680379 0.80 FDPS (0.48) TSHRFDPSOPRM1LMNA
SCHEMBL19123662 0.80 FDPS (0.48) TSHRFDPSOPRM1LMNA
Ammonia Solution, Strong SCHEMBL27993048 0.78 FDPS (0.47) TSHRFDPSOPRM1LMNA
Bromide SCHEMBL28712587 0.78 FDPS (0.47) TSHRFDPSOPRM1LMNA
SCHEMBL19425714 0.78 FDPS (0.42) TSHRFDPSOPRM1LMNA
Ammonia Solution, Strong SCHEMBL28823037 0.76 FAAH (0.47) LMNA
SCHEMBL28166005 0.76 FDPS (0.39) TSHRFDPSOPRM1LMNA

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