SCHEMBL19815549

SCHEMBL19815549

CC1=Cc2c(cccc2-n2c3ccccc3c3ccccc32)C1[Zr](Cl)(Cl)(C1C(C)=Cc2c1cccc2-n1c2ccccc2c2ccccc21)[SiH](C)C

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL831358 0.83 ALDH1A1 (0.31) ALDH1A1
SCHEMBL830788 0.81 ALDH1A1 (0.33) ALDH1A1
Hydrochloric Acid SCHEMBL831359 0.80 ALDH1A1 (0.33) ALDH1A1
Bromide SCHEMBL830898 0.80 ALDH1A1 (0.33) ALDH1A1
Fluoride SCHEMBL830587 0.80 ALDH1A1 (0.33) ALDH1A1
SCHEMBL830897 0.78 ALDH1A1 (0.31) ALDH1A1
Dimethylamine SCHEMBL830397 0.78 ALDH1A1 (0.31) ALDH1A1
SCHEMBL830586 0.78 ALDH1A1 (0.31) ALDH1A1
SCHEMBL16393710 0.77 RORC (0.30)
SCHEMBL389032 0.76

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
WO-2018022263-A1 POLYMERIZATION PROCESSES USING HIGH MOLECULAR WEIGHT POLYHYDRIC QUENCHING AGENTS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2018-02-01 WO disclosed