SCHEMBL11224079

SCHEMBL11224079

C=COCC(C)OCCCC#N

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL28939101 0.95 TSHR (0.30) TSHR
SCHEMBL322677 0.91 ALDH1A1 (0.31) ALDH1A1
SCHEMBL28731561 0.88
SCHEMBL9185121 0.78
SCHEMBL587567 0.76
SCHEMBL148774 0.75 TDP1 (0.39)
SCHEMBL8647103 0.74 TSHR (0.30) TSHR
SCHEMBL923942 0.73
SCHEMBL27960518 0.73
SCHEMBL27907630 0.72 ALDH1A1 (0.39) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0011853-B1 VULCANIZABLE FLUORINATED COPOLYMERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1983-03-09 EP disclosed
US-4281092-A ELASTOMERS RESISTANT TO ENVIRONMENTAL ATTACK E. I. DU PONT DE NEMOURS AND COMPANY (US) 1981-07-28 US disclosed
EP-0011853-A2 Vulcanizable fluorinated copolymers E.I. DU PONT DE NEMOURS AND COMPANY (US) 1980-06-11 EP disclosed