SCHEMBL6013367

SCHEMBL6013367

C=CC(=C)C.CC(=CF)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
TP53 P04637 1/20 0.48
TSHR P16473 1/20 0.48
LMNA P02545 1/20 0.35
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PTGS1 P23219 1/20 0.31
AKR1C3 P42330 1/20 0.31

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
Acrylic Acid SCHEMBL28204926 0.88 LMNA (0.50) ALDH1A1TP53TSHRLMNAALOX15
Methacrylic Acid SCHEMBL6428139 0.85 TDP1 (0.35) ALDH1A1PTGS1AKR1C3
SCHEMBL319894 0.84
SCHEMBL319895 0.84
SCHEMBL8583718 0.83 PTGS1 (0.32) PTGS1AKR1C3
SCHEMBL3519433 0.82
Methacrylic Acid SCHEMBL9802258 0.81 AKR1C3 (0.40) ALDH1A1PTGS1AKR1C3
SCHEMBL1932971 0.80 ALDH1A1 (0.53) ALDH1A1TP53TSHRLMNAALOX15
SCHEMBL29233318 0.80 ALDH1A1 (0.53) ALDH1A1TP53TSHRLMNAALOX15
Methacrylic Acid SCHEMBL161378 0.76 ALDH1A1 (0.62) ALDH1A1TP53TSHRLMNAALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060189756-A1 POLYMER BLENDS 3M INNOVATIVE PROPERTIES COMPANY 2006-08-24 US claimed
US-20060189756-A1 POLYMER BLENDS 3M INNOVATIVE PROPERTIES COMPANY 2006-08-24 US disclosed