SCHEMBL28003263

SCHEMBL28003263

C=CCC(=C)n1ccnc1.O=[SH](=O)O

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.33
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
SCHEMBL361352 0.91 CYP19A1 (0.37) CYP19A1ALDH1A1
Hydrochloric Acid SCHEMBL27840772 0.90 CYP19A1 (0.36) CYP19A1
Bromide SCHEMBL28227460 0.90 CYP19A1 (0.36) CYP19A1
Acetic Acid SCHEMBL28307651 0.85 ALDH1A1 (0.36) CYP19A1ALDH1A1
SCHEMBL28341431 0.85 CYP19A1 (0.33) CYP19A1
Thiocyanic Acid SCHEMBL28002876 0.82 CYP19A1 (0.41) CYP19A1
Trifluoroacetic Acid SCHEMBL28003230 0.81 L3MBTL1 (0.34) CYP19A1ALDH1A1
Trifluoromethanesulfonic Acid SCHEMBL28003252 0.80 L3MBTL1 (0.31)
SCHEMBL28002971 0.77 THRB (0.34) ALDH1A1
SCHEMBL17961167 0.76 TSHR (0.41) CYP19A1

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-104812866-A Antistatic layer, antistatic adhesive sheet and optical film NITTO DENKO CORP 2015-07-29 CN disclosed