SCHEMBL9816901

SCHEMBL9816901

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

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL9069608 1.00 ALDH1A1 (0.34) ALDH1A1TSHRTDP1
SCHEMBL82523 0.85
SCHEMBL82522 0.85
Acetic Acid SCHEMBL7522301 0.80 TDP1 (0.45) ALDH1A1TSHRTDP1
Acetone SCHEMBL27856457 0.80 TDP1 (0.45) ALDH1A1TSHRTDP1
SCHEMBL27795848 0.80 TDP1 (0.45) ALDH1A1TSHRTDP1
Acetic Acid SCHEMBL28792617 0.78 TDP1 (0.43) ALDH1A1TSHRTDP1
SCHEMBL28187937 0.78 TDP1 (0.58) ALDH1A1TSHRTDP1
Methacrylic Acid SCHEMBL6518135 0.78 TDP1 (0.43) ALDH1A1TSHRTDP1
Ethane SCHEMBL3278228 0.78

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
EP-0323652-B1 COSMETIC SKIN TREATMENT EXOVIR, INC. (US) 1991-11-06 EP claimed