SCHEMBL2862431

SCHEMBL2862431

CC=[Zr](C)(C)(Cl)(Cl)(C1C(C)=Cc2c(-c3cccc4ccccc34)cccc21)C1C(C)=Cc2c(-c3cccc4ccccc34)cccc21

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA9 Q16790 2/20 0.31
ALDH1A1 P00352 1/20 0.30
CYP2A6 P11509 1/20 0.30
DHFR P00374 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
SCHEMBL6242041 0.84 HTR1A (0.33) CA12CA1CA2CA9ALDH1A1
SCHEMBL7642410 0.84 DHFR (0.34) CA12CA1CA2CA9ALDH1A1
SCHEMBL2856357 0.83 PDCD1 (0.30)
SCHEMBL5353710 0.83 CA12 (0.33) CA12CA1CA2CA9ALDH1A1
SCHEMBL7599327 0.79 CA12 (0.30) CA12CA1CA2CA9ALDH1A1
SCHEMBL7597035 0.79 CA12 (0.30) CA12CA1CA2CA9ALDH1A1
SCHEMBL7878197 0.77
SCHEMBL820022 0.77 CA12 (0.31) CA12CA1CA2CA9ALDH1A1
SCHEMBL4060837 0.76 CA12 (0.33) CA12CA1CA2CA9ALDH1A1
SCHEMBL7889139 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1661921-B1 Synthetic lubricating oil and lubricating oil composition thereof MITSUI CHEMICALS INC (JP) 2019-07-17 EP disclosed
EP-2570472-A1 LUBRICATING OIL COMPOSITION Mitsui Chemicals, Inc. (JP) 2013-03-20 EP disclosed
US-20120135903-A1 LUBRICATING OIL COMPOSITION MITSUI CHEMICALS, INC. 2012-05-31 US disclosed
US-7795194-B2 Synthetic lubricating oil and lubricating oil composition MITSUI CHEMICALS, INC. (JP) 2010-09-14 US disclosed
US-20060116303-A1 decene-ethylene copolymer, zirconium, titanium or hafnium fluorene-containing complexes, organometallics; improved high thermal oxidation stability, viscosity index, low-temperature viscosity properties and shear stability MITSUI CHEMICALS, INC. (JP) 2006-06-01 US disclosed
EP-1661921-A1 Synthetic lubricating oil and lubricating oil composition thereof Mitsui Chemicals, Inc. (JP) 2006-05-31 EP disclosed