SCHEMBL20202274

SCHEMBL20202274

C=CC(=O)/C=C(/C)C(C)=O

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
TSHR P16473 4/20 0.33
TP53 P04637 1/20 0.33
LMNA P02545 1/20 0.33
FGFR4 P22455 1/20 0.32
TRPA1 O75762 1/20 0.32
THPO P40225 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
SCHEMBL17211987 1.00 ALDH1A1 (0.45) ALDH1A1TSHRTP53LMNAFGFR4
SCHEMBL18840596 0.81 ALDH1A1 (0.43) ALDH1A1TSHRTP53LMNAFGFR4
SCHEMBL560356 0.81 ALDH1A1 (0.43) ALDH1A1TSHRTP53LMNAFGFR4
SCHEMBL11801788 0.81 ALDH1A1 (0.43) ALDH1A1TSHRTP53LMNAFGFR4
SCHEMBL553887 0.79 ALDH1A1 (0.41) ALDH1A1TSHRTP53LMNAFGFR4
SCHEMBL10380928 0.77
SCHEMBL23952095 0.76 ALDH1A1 (0.43) ALDH1A1TSHRTP53LMNAFGFR4
SCHEMBL5445282 0.75 ALDH1A1 (0.42) ALDH1A1
Methacrylic Acid SCHEMBL30110651 0.75 ALDH1A1 (0.38) ALDH1A1TSHRTP53LMNA
SCHEMBL7648377 0.75 ALDH1A1 (0.38) ALDH1A1

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
EP-3544945-B1 PROCESS FOR PREPARING (POLY)ALKYLATED PHENOLS DSM IP ASSETS BV (NL) 2021-11-03 EP disclosed
WO-2018096152-A1 PROCESS FOR PREPARING (POLY)ALKYLATED PHENOLS DSM IP ASSETS B.V. (NL) 2018-05-31 WO disclosed