SCHEMBL10604642

SCHEMBL10604642

C=CCCC.CCC=C1CC1C

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL3798110 0.89 TSHR (0.52) TSHRALDH1A1
SCHEMBL16908434 0.86 TSHR (0.39) TSHRALDH1A1
SCHEMBL3798694 0.85 TSHR (0.55) TSHRALDH1A1
SCHEMBL9794925 0.82 NOS3 (0.31)
SCHEMBL67012 0.82
SCHEMBL19030690 0.81 TSHR (0.48) TSHRALDH1A1
SCHEMBL690137 0.78
SCHEMBL11329197 0.76
SCHEMBL19030805 0.76 TSHR (0.57) TSHRALDH1A1
SCHEMBL11035756 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0124972-B1 POLYMERIC COMPOSITE HEAT STORAGE MATERIAL E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-07-19 EP disclosed