SCHEMBL30723488

SCHEMBL30723488

C=C(CC#N)CCCP(CCCC)CCCC

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 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
SCHEMBL7600587 0.84
SCHEMBL9442174 0.75
SCHEMBL8232153 0.70 TSHR (0.42) TSHRALDH1A1GAA
Acetonitrile SCHEMBL27951326 0.70 TSHR (0.41) TSHRALDH1A1
Water SCHEMBL28258534 0.69 TSHR (0.43) TSHRALDH1A1
Water SCHEMBL5488128 0.69 TSHR (0.43) TSHRALDH1A1
Water SCHEMBL28258536 0.69 TSHR (0.43) TSHRALDH1A1
SCHEMBL8844596 0.69 TSHR (0.55) TSHRALDH1A1
SCHEMBL14634880 0.69 TSHR (0.42) TSHRALDH1A1
Acrylonitrile SCHEMBL28555739 0.67 TSHR (0.43) 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-112292375-B Substituted alkoxypyridinyl indole sulfonamides 优时比制药有限公司 2023-12-05 CN disclosed