SCHEMBL2150488

SCHEMBL2150488

C[N+](c1ccccc1)(c1ccccc1)c1ccccc1.F[B-](F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
APOBEC3A P31941 1/20 0.50
APOBEC3G Q9HC16 1/20 0.50
ALDH1A1 P00352 2/20 0.35
ACHE P22303 5/20 0.34
KDM4E B2RXH2 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
ALOX12 P18054 1/20 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
SCHEMBL27817432 0.97 APOBEC3A (0.48) APOBEC3AAPOBEC3GALDH1A1ACHEKDM4E
SCHEMBL2230404 0.88 APOBEC3A (0.61) APOBEC3AAPOBEC3GALDH1A1ACHEKDM4E
Hydrochloric Acid SCHEMBL236927 0.85 APOBEC3A (0.58) APOBEC3AAPOBEC3GALDH1A1ACHEKDM4E
Fluoride Ion SCHEMBL1502846 0.85 APOBEC3A (0.58) APOBEC3AAPOBEC3GALDH1A1ACHEKDM4E
Iodide SCHEMBL240324 0.85 APOBEC3A (0.67) APOBEC3AAPOBEC3GALDH1A1ACHEKDM4E
Water SCHEMBL188487 0.85 APOBEC3A (0.58) APOBEC3AAPOBEC3GALDH1A1ACHEKDM4E
Bromide SCHEMBL239525 0.85 APOBEC3A (0.58) APOBEC3AAPOBEC3GALDH1A1ACHEKDM4E
SCHEMBL2149555 0.83 APOBEC3A (0.74) APOBEC3AAPOBEC3GALDH1A1ACHEKDM4E
SCHEMBL27734056 0.83 APOBEC3A (0.50) APOBEC3AAPOBEC3GALDH1A1ACHEKDM4E
SCHEMBL27817546 0.81 APOBEC3A (0.70) APOBEC3AAPOBEC3GALDH1A1ACHEKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9290656-B2 Polymerizable composition for polythiourethane optical material MITSUI CHEMICALS, INC. (JP) 2016-03-22 US disclosed
EP-2341091-B1 POLYMERIZABLE COMPOSITION FOR OPTICAL MATERIAL, OPTICAL MATERIAL, AND METHOD FOR PREPARING THE OPTICAL MATERIAL MITSUI CHEMICALS INC (JP) 2013-12-04 EP disclosed
EP-1988109-B1 POLYMERIZABLE COMPOSITION FOR POLYTHIOURETHANE OPTICAL MATERIAL MITSUI CHEMICALS INC (JP) 2013-05-29 EP disclosed
US-8434866-B2 Polymerizable composition for optical material, optical material, and method for preparing the optical material MITSUI CHEMICALS, INC. (JP) 2013-05-07 US disclosed
US-20110190466-A1 POLYMERIZABLE COMPOSITION FOR POLYTHIOURETHANE OPTICAL MATERIAL MITSUI CHEMICALS, INC. (JP) 2011-08-04 US disclosed
EP-2341091-A1 POLYMERIZABLE COMPOUND FOR OPTICAL MATERIAL, OPTICAL MATERIAL, AND OPTICAL MATERIAL MANUFACTURING METHOD Mitsui Chemicals, Inc. (JP) 2011-07-06 EP disclosed
US-20100075154-A1 POLYMERIZABLE COMPOSITION FOR OPTICAL MATERIAL, OPTICAL MATERIAL, AND METHOD FOR PREPARING THE OPTICAL MATERIAL MITSUI CHEMICALS, INC. (JP) 2010-03-25 US disclosed
EP-1988109-A1 POLYMERIZABLE COMPOSITION FOR POLYTHIOURETHANE OPTICAL MATERIAL Mitsui Chemicals, Inc. (JP) 2008-11-05 EP disclosed