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 | |
|---|---|---|---|---|
| Bromide SCHEMBL9837092 | 0.88 | — | — | |
| Lithium Ion SCHEMBL6862804 | 0.88 | — | — | |
| SCHEMBL1319 | 0.87 | — | — | |
| SCHEMBL15658212 | 0.87 | ALDH1A1 (1.00) | — | |
| SCHEMBL9419675 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL7512029 | 0.80 | — | — | |
| SCHEMBL9357181 | 0.80 | ALDH1A1 (0.86) | — | |
| SCHEMBL8715381 | 0.80 | — | — | |
| Water SCHEMBL8878056 | 0.80 | ALDH1A1 (0.86) | — | |
| Charcoal, Activated SCHEMBL8413635 | 0.80 | — | — |
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.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7858761-B2 | 1-α-halo-2,2-difluoro-2-deoxy-D-ribofuranose derivatives and process for the preparation thereof | HANMI PHARM. CO., LTD (KR) | 2010-12-28 | — | — | US | claimed |
| US-20070238865-A1 | intermediates in preparation of gemcitabine in large scale; reducing 1-oxoribose compound to obtain actol compound, reacting with halophosphate compound in presence of base to obtain a 1-phosphate furanose derivative, reacting with halide source, then crystallizing | HANMI PHARM CO., LTD (KR) | 2007-10-11 | — | — | US | claimed |
| EP-1781678-A1 | 1-ALPHA-HALO-2,2-DIFLUORO-2-DEOXY-D-RIBOFURANOSE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF | Hanmi Pharm. Co., Ltd. (KR) | 2007-05-09 | — | — | EP | claimed |
| WO-2006011713-A1 | 1-α-HALO-2,2-DIFLUORO-2-DEOXY-D-RIBOFURANOSE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF | HANMI PHARM. CO., LTD. (KR) | 2006-02-02 | — | — | WO | claimed |
| US-7858761-B2 | 1-α-halo-2,2-difluoro-2-deoxy-D-ribofuranose derivatives and process for the preparation thereof | HANMI PHARM. CO., LTD (KR) | 2010-12-28 | — | — | US | disclosed |
| US-20070238865-A1 | intermediates in preparation of gemcitabine in large scale; reducing 1-oxoribose compound to obtain actol compound, reacting with halophosphate compound in presence of base to obtain a 1-phosphate furanose derivative, reacting with halide source, then crystallizing | HANMI PHARM CO., LTD (KR) | 2007-10-11 | — | — | US | disclosed |
| EP-1781678-A1 | 1-ALPHA-HALO-2,2-DIFLUORO-2-DEOXY-D-RIBOFURANOSE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF | Hanmi Pharm. Co., Ltd. (KR) | 2007-05-09 | — | — | EP | disclosed |
| WO-2006011713-A1 | 1-α-HALO-2,2-DIFLUORO-2-DEOXY-D-RIBOFURANOSE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF | HANMI PHARM. CO., LTD. (KR) | 2006-02-02 | — | — | WO | disclosed |