SCHEMBL9523796

SCHEMBL9523796

C=CC(NC(C)C(=O)O)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
TP53 P04637 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
SCHEMBL8549832 0.83 LMNA (0.35) TSHR
SCHEMBL5691836 0.83 LMNA (0.35) TSHR
SCHEMBL8576127 0.79 TSHR (0.34) TSHRTP53
SCHEMBL7139287 0.79 TSHR (0.34) TSHRTP53
SCHEMBL4572680 0.74 TP53 (0.47) TP53
SCHEMBL2807366 0.74 TP53 (0.47) TP53
SCHEMBL109878 0.74 TP53 (0.47) TP53
SCHEMBL3808901 0.74 TP53 (0.47) TP53
SCHEMBL4572684 0.74 TP53 (0.47) TP53
SCHEMBL88208 0.74 TP53 (0.47) TP53

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-0487903-B1 PROCESS FOR THE PREPARATION OF 1,3 PROPANEDIOL Degussa Aktiengesellschaft (DE) 1993-04-14 EP claimed