SCHEMBL2149555

SCHEMBL2149555

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

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
APOBEC3A P31941 1/20 0.74
APOBEC3G Q9HC16 1/20 0.74
ACHE P22303 7/20 0.41
ALDH1A1 P00352 2/20 0.35
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
SCHEMBL27817546 0.97 APOBEC3A (0.70) APOBEC3AAPOBEC3GACHEALDH1A1KDM4E
SCHEMBL147815 0.88 APOBEC3A (0.93) APOBEC3AAPOBEC3GACHEALDH1A1KDM4E
SCHEMBL12020269 0.88 APOBEC3A (0.93) APOBEC3AAPOBEC3GACHEALDH1A1KDM4E
Water SCHEMBL35582 0.85 APOBEC3A (0.88) APOBEC3AAPOBEC3GACHEALDH1A1KDM4E
Bromide SCHEMBL80469 0.85 APOBEC3A (0.88) APOBEC3AAPOBEC3GACHEALDH1A1KDM4E
Iodide SCHEMBL11871453 0.85 APOBEC3A (0.88) APOBEC3AAPOBEC3GACHEALDH1A1KDM4E
Bromide SCHEMBL238552 0.85 APOBEC3A (0.88) APOBEC3AAPOBEC3GACHEALDH1A1KDM4E
Bromide SCHEMBL10995909 0.85 APOBEC3A (0.88) APOBEC3AAPOBEC3GACHEALDH1A1KDM4E
SCHEMBL7546898 0.85 APOBEC3A (0.88) APOBEC3AAPOBEC3GACHEALDH1A1KDM4E
SCHEMBL7546894 0.85 APOBEC3A (0.88) APOBEC3AAPOBEC3GACHEALDH1A1KDM4E

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 11 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
EP-0141371-B1 SECONDARY BATTERY SHOWA DENKO KABUSHIKI KAISHA (JP) 1988-08-10 EP disclosed
US-4537843-A ELECTRODES OF POLYMER WITH CONJUGATED DOUBLE BONDS IN MAIN CHAIN, SHOWA DENKO KABUSHIKI KAISHA (JP) 1985-08-27 US disclosed
EP-0141371-A1 Secondary Battery SHOWA DENKO KABUSHIKI KAISHA (JP) 1985-05-15 EP disclosed