SCHEMBL9843152

SCHEMBL9843152

CC=[Zr](C1C=Cc2cccc(C)c21)C1C=Cc2cccc(C)c21

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 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
SCHEMBL8468567 0.79 ALDH1A1 (0.32) ALDH1A1
SCHEMBL285580 0.73 HTR2A (0.34)
SCHEMBL9436871 0.72
Hydrochloric Acid SCHEMBL19874877 0.71 HTR2A (0.33)
Hydrochloric Acid SCHEMBL19874835 0.71 HTR2A (0.33)
SCHEMBL5909819 0.70
SCHEMBL8765533 0.70 ALDH1A1 (0.37) ALDH1A1
SCHEMBL6272794 0.69 ALDH1A1 (0.30) ALDH1A1
SCHEMBL8167362 0.69
Hydrochloric Acid SCHEMBL6939971 0.67 ALDH1A1 (0.34) ALDH1A1

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-0406912-A2 Process for polymerizing olefins MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1991-01-09 EP disclosed