SCHEMBL28573295

SCHEMBL28573295

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

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.53
ALDH1A1 P00352 1/20 0.53

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
SCHEMBL440284 0.79 TSHR (0.56) TSHRALDH1A1
Bucrylate SCHEMBL168360 0.77 TSHR (0.62) TSHRALDH1A1
SCHEMBL27919024 0.77 TSHR (0.58) TSHRALDH1A1
SCHEMBL28021484 0.75 TSHR (0.60) TSHRALDH1A1
SCHEMBL28719480 0.74 TSHR (0.50) TSHRALDH1A1
SCHEMBL30777407 0.74 TSHR (0.59) TSHRALDH1A1
SCHEMBL10530519 0.74 TSHR (0.63) TSHRALDH1A1
SCHEMBL13239394 0.73 TSHR (0.57) TSHRALDH1A1
SCHEMBL17677576 0.72 TSHR (0.61) TSHRALDH1A1
SCHEMBL4581215 0.72 TSHR (0.55) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112703235-A Cyanoacrylate compositions 汉高知识产权控股有限责任公司 2021-04-23 CN disclosed