Known targets — ChEMBL curated mechanism
ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1
The experimentally established mechanism targets of Bromide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL627736 | 0.96 | — | — | |
| Fluoride Ion SCHEMBL1961247 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL1184026 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL6264742 | 0.89 | — | — | |
| SCHEMBL7033974 | 0.83 | — | — | |
| SCHEMBL7033775 | 0.81 | MEN1 (0.33) | — | |
| Nitrous Acid SCHEMBL7032211 | 0.78 | ALDH1A1 (0.32) | — | |
| Thiocyanic Acid SCHEMBL5096340 | 0.78 | — | — | |
| SCHEMBL3178892 | 0.76 | — | — | |
| Sulfuric Acid SCHEMBL7037387 | 0.76 | MEN1 (0.40) | — |
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 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0994099-B1 | Process for preparing 4-cyano-3-nitrobenzotrifluoride from 3-bromo-4-cyanobenzotrifluoride in the presence of catalytic cuprous cyanide and a phase transfer catalyst. | BAYER CROPSCIENCE SA (FR) | 2005-02-02 | — | — | EP | disclosed |
| US-6635780-B1 | For preparing intermediates of pesticides (particularly 4-cyano-3-nitrobenzotrifluoride); comprises the reaction of the corresponding ortho-nitrohalobenzene and metal cyanide, in a non aqueous solvent | BAYER CROPSCIENCE S.A. (FR) | 2003-10-21 | — | — | US | disclosed |
| EP-0926190-B1 | A Process for imparting low compression set to liquid injection moldable silicone elastomers | GEN ELECTRIC (US) | 2003-09-17 | — | — | EP | disclosed |
| US-20030163000-A1 | Halogen exchange reactions and catalysts therefor | CHORDIP LTD. (GB) | 2003-08-28 | — | — | US | disclosed |
| EP-0939101-B1 | Liquid injection molding silicone elastomers having primerless adhesion | GEN ELECTRIC (US) | 2003-08-13 | — | — | EP | disclosed |
| EP-0926208-B1 | Curable silicone elastomers having low compression set | GEN ELECTRIC (US) | 2003-03-19 | — | — | EP | disclosed |
| EP-1288196-A1 | Process for the preparation of organo guanidinium salts | Chordip Ltd. (GB) | 2003-03-05 | — | — | EP | disclosed |
| EP-0926207-B1 | Curable silicone elastomers having primerless adhesion | GEN ELECTRIC (US) | 2003-02-12 | — | — | EP | disclosed |
| EP-1121344-A2 | CHEMICAL PROCESSES | AVENTIS CROPSCIENCE S.A. (FR) | 2001-08-08 | — | — | EP | disclosed |
| WO-2000021922-A2 | CHEMICAL PROCESSES | AVENTIS CROPSCIENCE S.A. (FR) | 2000-04-20 | — | — | WO | disclosed |
| EP-0994103-A1 | Processes for preparing pesticidal intermediates | Rhone Poulenc Agro (FR) | 2000-04-19 | — | — | EP | disclosed |
| EP-0994099-A1 | Chemical processes | Rhone Poulenc Agro (FR) | 2000-04-19 | — | — | EP | disclosed |
| US-6040366-A | COMPRESSION SET IS REDUCED BY THE BY THE INCORPORATION OF CATIONIC ORGANIC NITROGEN SALTS; BIS(TRIMETHOXYSILYLPROPYL) FUMARATE | GENERAL ELECTRIC COMPANY (US) | 2000-03-21 | — | — | US | disclosed |
| US-5998516-A | BLEND OF CURABLE SILICONE ELASTOMER; NITROGEN COMPOUND; AND SILANOL TERMINATED POLYMER; RESILIENCE | GENERAL ELECTRIC COMPANY (US) | 1999-12-07 | — | — | US | disclosed |
| US-5998515-A | BLEND OF CURABLE SILICONE ELASTOMER, NITROGEN COMPOUND, BIS/TRIMETHOXYSILYLPROPYL/FUMARATE AND SILANOL TERMINATED POLYMER; RESILIENCE | GENERAL ELECTRIC COMPANY (US) | 1999-12-07 | — | — | US | disclosed |
| US-5977220-A | Process for imparting low compression set to liquid injection moldable silicone elastomers | GENERAL ELECTRIC COMPANY (US) | 1999-11-02 | — | — | US | disclosed |
| EP-0939101-A2 | Liquid injection molding silicone elastomers having primerless adhesion | GENERAL ELECTRIC COMPANY (US) | 1999-09-01 | — | — | EP | disclosed |
| EP-0926190-A1 | A Process for imparting low compression set to liquid injection moldable silicone elastomers | GENERAL ELECTRIC COMPANY (US) | 1999-06-30 | — | — | EP | disclosed |
| EP-0926207-A1 | Curable silicone elastomers having primerless adhesion | GENERAL ELECTRIC COMPANY (US) | 1999-06-30 | — | — | EP | disclosed |
| EP-0926208-A1 | Curable silicone elastomers having low compression set | GENERAL ELECTRIC COMPANY (US) | 1999-06-30 | — | — | EP | disclosed |