SCHEMBL6906524

SCHEMBL6906524

Cc1ccccc1[B-](c1ccccc1C)(c1ccccc1C)c1ccccc1C.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.38
TSHR P16473 2/20 0.38
ALDH1A1 P00352 1/20 0.36
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
LMNA P02545 1/20 0.31
ALOX12 P18054 1/20 0.31
CYP3A4 P08684 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL473106 0.83 TSHR (0.53) ACHETSHRALDH1A1CA1CA2
Silver SCHEMBL7634821 0.81 TSHR (0.50) ACHETSHRALDH1A1CA1CA2
Lithium Ion SCHEMBL7632876 0.81 TSHR (0.50) ACHETSHRALDH1A1CA1CA2
SCHEMBL11324866 0.81 TSHR (0.50) ACHETSHRALDH1A1CA1CA2
SCHEMBL8754912 0.81 TSHR (0.50) ACHETSHRALDH1A1CA1CA2
Methylamine SCHEMBL30526918 0.79 TSHR (0.47) ACHETSHRALDH1A1CA1CA2
Tetraphenylphosphonium SCHEMBL8817167 0.78 ACHE (0.38) ACHETSHRALDH1A1CA1CA2
Tetraphenylphosphonium SCHEMBL30609968 0.78 ACHE (0.38) ACHETSHRALDH1A1CA1CA2
Trimethylammonium SCHEMBL138563 0.77 TSHR (0.45) ACHETSHRALDH1A1CA1CA2
SCHEMBL20723411 0.75 TSHR (0.43) ACHETSHRALDH1A1MAOAMAOB

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0969010-B1 Transition metal compound and catalyst containing the same for polymerization of olefins JAPAN POLYOLEFINS CO LTD (JP) 2004-09-22 EP disclosed
US-6352953-B1 TRANSITION METAL COMPLEX HAVING 5-MEMBERED RING FORMED BY TRANSITION METAL COMPOUND OF GROUP IVB, TWO CARBONS, METAL OF GROUP IIIA AND HYDROGEN JAPAN POLYOLEFINS CO., LTD. (JP) 2002-03-05 US disclosed
US-6150544-A Transition metal compound and catalyst containing the same for polymerization of olefins JAPAN POLYOLEFINS CO., LTD. (JP) 2000-11-21 US disclosed
EP-0969010-A2 Transition metal compound and catalyst containing the same for polymerization of olefins Japan Polyolefins Co., Ltd. (JP) 2000-01-05 EP disclosed
EP-0714920-B1 Catalyst for polymerization of olefins NIPPON OIL CO LTD (JP) 1997-11-05 EP disclosed
EP-0768320-A1 Catalyst component and catalyst NIPPON OIL CO. LTD. (JP) 1997-04-16 EP disclosed
EP-0714920-A1 Catalyst for polymerization of olefins NIPPON OIL CO. LTD. (JP) 1996-06-05 EP disclosed