SCHEMBL1923724

SCHEMBL1923724

CC(C)[O-].CC(C)[O-].CC(C)[O-].[Al+3].[Al]

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL242908 0.94 ALDH1A1 (0.33) ALDH1A1TSHRHSD17B10
SCHEMBL27287 0.94 ALDH1A1 (0.33) ALDH1A1TSHRHSD17B10
SCHEMBL9495494 0.88 ALDH1A1 (0.30) ALDH1A1TSHRHSD17B10
SCHEMBL6294527 0.88 ALDH1A1 (0.30) ALDH1A1TSHRHSD17B10
SCHEMBL7787493 0.88 ALDH1A1 (0.30) ALDH1A1TSHRHSD17B10
Hydrochloric Acid SCHEMBL1228558 0.88
SCHEMBL6741467 0.88 ALDH1A1 (0.30) ALDH1A1TSHRHSD17B10
SCHEMBL531269 0.88 ALDH1A1 (0.30) ALDH1A1TSHRHSD17B10
SCHEMBL2445854 0.88 ALDH1A1 (0.30) ALDH1A1TSHRHSD17B10
Hydrochloric Acid SCHEMBL1230429 0.88 ALDH1A1 (0.30) ALDH1A1TSHRHSD17B10

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-1874846-B1 POLYMER OF POLYCARBONATE DIOL HAVING AN ALICYCLIC STRUCTURE AND PRODUCTION PROCESS THEREOF SHOWA DENKO KK (JP) 2011-06-08 EP disclosed
US-6028231-A Process for preparing 2-methyl-4-(2,2,3-trimethyl-cyclopent-3-en-1-yl)-but-2-en-1-ol HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2000-02-22 US disclosed