SCHEMBL8573752

SCHEMBL8573752

OCC(CO)(CO)CCCCCC(O)(O)O

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
TSHR P16473 2/20 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
SCHEMBL8988160 1.00 ALDH1A1 (0.32) ALDH1A1TSHR
SCHEMBL9816748 0.87 ALDH1A1 (0.39) ALDH1A1TSHR
SCHEMBL1226248 0.87 ALDH1A1 (0.39) ALDH1A1TSHR
SCHEMBL31182045 0.84 ALDH1A1 (0.41) ALDH1A1TSHR
SCHEMBL2418354 0.79 ALDH1A1 (0.38) ALDH1A1TSHR
SCHEMBL8466968 0.78 ALDH1A1 (0.37) ALDH1A1TSHR
SCHEMBL7599321 0.77 ALDH1A1 (0.41) ALDH1A1TSHR
SCHEMBL17183843 0.75 LMNA (0.40) ALDH1A1TSHR
SCHEMBL9068164 0.75 LMNA (0.40) ALDH1A1TSHR
SCHEMBL28080227 0.75 LMNA (0.40) ALDH1A1TSHR

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-5837797-A CONDENSATION POLYMERIZING POLYTHIOL AND POLYISO(THIO)CYANATE MONOMERS TO MAKE POLYTHIOURETHANES AND POLYDITHIOCARBAMATES; REFRACTIVE INDEX, LIGHTWEIGHT, DYEABILITY, WEATHERPROOF, HEAT RESISTANCE, IMPACT STRENGTH MITSUI TOATSU CHEMICALS, INC. (JP) 1998-11-17 US disclosed