Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
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 | |
|---|---|---|---|---|
| SCHEMBL2206447 | 0.96 | — | — | |
| Water SCHEMBL357692 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL265340 | 0.93 | — | — | |
| Iodide SCHEMBL7216934 | 0.93 | — | — | |
| SCHEMBL28718423 | 0.84 | — | — | |
| Methylene Chloride SCHEMBL4462021 | 0.84 | — | — | |
| SCHEMBL23716908 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL10830067 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL30358052 | 0.80 | CYP1A2 (0.33) | — | |
| SCHEMBL5744333 | 0.78 | — | — |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6632949-B2 | Difluoro-diamine methylene derivatives | MITSUI CHEMICALS, INC. (JP) | 2003-10-14 | — | — | US | claimed |
| US-20030004348-A1 | Halogenating agents | SONODA HIROSHI (JP) | 2003-01-02 | — | — | US | claimed |
| US-20020042521-A1 | Nitrogen-based halogenating agents and process for preparing halogen-containing compounds | SONODA HIROSHI (JP) | 2002-04-11 | — | — | US | claimed |
| EP-2003124-B1 | Semi-synthesis of taxane intermediates from 9-dihydro-13-acetylbaccatin III | CHATHAM BIOTEC LTD (CA) | 2015-02-25 | — | — | EP | disclosed |
| EP-2003124-A1 | Semi-synthesis of taxane intermediates from 9-dihydro-13-acetylbaccatin III | Chatham Biotec Ltd (CA) | 2008-12-17 | — | — | EP | disclosed |
| EP-1727810-B1 | SEMI-SYNTHESIS OF TAXANE INTERMEDIATES FROM 9-DIHYDRO-13-ACETYLBACCATIN III | CHATHAM BIOTEC LTD (CA) | 2008-10-01 | — | — | EP | disclosed |
| US-7202370-B2 | Semi-synthesis of taxane intermediates from 9-dihydro-13-acetylbaccatin III | CONOR MEDSYSTEMS, INC. (US) | 2007-04-10 | — | — | US | disclosed |
| EP-1727810-A2 | SEMI-SYNTHESIS OF TAXANE INTERMEDIATES FROM 9-DIHYDRO-13-ACETYLBACCATIN III | Chatham Biotec Ltd. (CA) | 2006-12-06 | — | — | EP | disclosed |
| WO-2005044811-A2 | SEMI-SYNTHESIS OF TAXANE INTERMEDIATES FROM 9-DIHYDRO-13-ACETYLBACCATIN III | PHYTOGEN LIFE SCIENCES INC. (CA) | 2005-05-19 | — | — | WO | disclosed |
| US-20050101789-A1 | Semi-synthesis of taxane intermediates from 9-dihydro-13-acetylbaccatin III | PHYTOGEN LIFE SCIENCES INC. (CA) | 2005-05-12 | — | — | US | disclosed |
| US-6632949-B2 | Difluoro-diamine methylene derivatives | MITSUI CHEMICALS, INC. (JP) | 2003-10-14 | — | — | US | disclosed |
| US-20030004348-A1 | Halogenating agents | SONODA HIROSHI (JP) | 2003-01-02 | — | — | US | disclosed |
| US-6458990-B1 | BIS(DIHYDROCARBYLAMINO)DIFLUOROMETHANE OR CYCLIC DERIVATIVES THEREOF; FORMING BY REACTING ALKALI METAL HALIDE WITH THE CORRESPONDING AMIDINIUM SALT; FLUORINATION OF ALCOHOLS, THIOPHENOLS, ALDEHYDES, AND KETONES | MITSUI CHEMICALS, INC. (JP) | 2002-10-01 | — | — | US | disclosed |
| EP-0949226-B1 | Process for the preparation of acetylene derivatives | MITSUI CHEMICALS INC (JP) | 2002-07-17 | — | — | EP | disclosed |
| US-20020042521-A1 | Nitrogen-based halogenating agents and process for preparing halogen-containing compounds | SONODA HIROSHI (JP) | 2002-04-11 | — | — | US | disclosed |
| US-6329529-B1 | FOR FLUORINATING OF ORGANIC COMPOUNDS, EFFICIENCY, POLLUTION CONTROL | MITSUI CHEMICALS, INC. (JP) | 2001-12-11 | — | — | US | disclosed |
| US-6127583-A | Process for preparing acetylene derivative from a ketone compound | MITSUI CHEMICALS, INC. (JP) | 2000-10-03 | — | — | US | disclosed |
| EP-0949226-A1 | Process for the preparation of acetylene derivatives | Mitsui Chemicals, Inc. (JP) | 1999-10-13 | — | — | EP | disclosed |
| EP-0895991-A2 | Halogenating agent | Mitsui Chemicals, Inc. (JP) | 1999-02-10 | — | — | EP | disclosed |