SCHEMBL28153137

SCHEMBL28153137

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

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL28837678 0.82
SCHEMBL27662121 0.80 CES1 (0.38) ALDH1A1TSHR
SCHEMBL6364296 0.80 ALDH1A1 (0.32) ALDH1A1TSHRCYP2C9
SCHEMBL9175299 0.75
SCHEMBL2991563 0.75 ALDH1A1 (0.35) ALDH1A1TSHRCYP2C9
SCHEMBL2188649 0.72
SCHEMBL1277270 0.72
SCHEMBL4423141 0.72
SCHEMBL5921557 0.72
SCHEMBL16440995 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108472309-A Nucleic acid vaccine for Varicella Zoster Virus (VZV) 摩登纳特斯有限公司 2018-08-31 CN disclosed
CN-107868071-A 7,8 5,7-Dihydroxyflavones and chromocor derivative, composition and its correlation technique of 7,8 substitutions 爱默蕾大学 2018-04-03 CN disclosed
CN-104812744-B 7, 8-dihydroxyflavone and 7, 8-substituted flavone derivatives, compositions, and methods related thereto 爱默蕾大学 2017-12-01 CN disclosed
CN-104487429-B Heterocycle chromocor derivative, composition and relative method 爱默蕾大学 2017-07-14 CN disclosed