SCHEMBL22402371

SCHEMBL22402371

C=CCCCCNCC(C)(C)CCC

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.42
ALDH1A1 P00352 3/20 0.40
LMNA P02545 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
SCHEMBL22117243 0.80 TSHR (0.34) TSHRALDH1A1LMNA
SCHEMBL18456742 0.78 TSHR (0.46) TSHRALDH1A1
SCHEMBL31627072 0.78 TSHR (0.35) TSHRALDH1A1LMNA
SCHEMBL31626989 0.77 ALDH1A1 (0.41) TSHRALDH1A1LMNA
SCHEMBL9123476 0.74 TSHR (0.52) TSHRALDH1A1LMNA
SCHEMBL20529606 0.74 TSHR (0.61) TSHRALDH1A1LMNA
SCHEMBL1454468 0.74 TSHR (0.54) TSHRALDH1A1LMNA
SCHEMBL8033193 0.74 TSHR (0.68) TSHRALDH1A1
SCHEMBL22117203 0.74 ALDH1A1 (0.33) TSHRALDH1A1LMNA
SCHEMBL18748198 0.74 CA12 (0.43) TSHRALDH1A1LMNA

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
US-20200283554-A1 POLYMERS FROM MUCONIC ACID ISOMERS AND ITS DERIVATIVES PTTGC INNOVATION AMERICA CORP (US) 2020-09-10 US disclosed