SCHEMBL19499652

SCHEMBL19499652

CC=C(C#N)C(=O)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.33
ALDH1A1 P00352 3/20 0.33
CYP2C9 P11712 1/20 0.31

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
SCHEMBL18842307 1.00 EGFR (0.33) EGFRALDH1A1CYP2C9
SCHEMBL26476373 0.85 EGFR (0.32) EGFRALDH1A1
SCHEMBL19508429 0.85 EGFR (0.32) EGFRALDH1A1
SCHEMBL20847037 0.83 EGFR (0.31) EGFRALDH1A1
SCHEMBL18790059 0.82
SCHEMBL13263510 0.80 CYP2C9 (0.50) ALDH1A1CYP2C9
SCHEMBL22138282 0.80 MEN1 (0.32) ALDH1A1
SCHEMBL24091686 0.78 MEN1 (0.33)
SCHEMBL22216479 0.78 FDPS (0.35) EGFRALDH1A1CYP2C9
SCHEMBL18909667 0.78 MEN1 (0.33)

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
US-20230235093-A1 REGIOSELECTIVELY SUBSTITUTED CELLULOSE ESTERS AND FILMS MADE THEREFROM EASTMAN CHEMICAL COMPANY (US) 2023-07-27 US disclosed
US-20170306054-A1 REGIOSELECTIVELY SUBSTITUTED CELLULOSE ESTERS AND FILMS MADE THEREFROM EASTMAN CHEMICAL COMPANY (US) 2017-10-26 US disclosed
US-20170307796-A1 REGIOSELECTIVELY SUBSTITUTED CELLULOSE ESTERS AND FILMS MADE THEREFROM EASTMAN CHEMICAL COMPANY (US) 2017-10-26 US disclosed