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 | |
|---|---|---|---|---|
| SCHEMBL1231659 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL4585327 | 0.75 | — | — | |
| Radium Ra-223 SCHEMBL29367728 | 0.50 | — | — | |
| Bromide SCHEMBL29029405 | 0.50 | — | — | |
| Water SCHEMBL28822406 | 0.50 | — | — | |
| Bromide SCHEMBL29377410 | 0.50 | — | — | |
| Bromide SCHEMBL28471938 | 0.50 | — | — | |
| Bromide SCHEMBL11758218 | 0.50 | — | — | |
| Bromide SCHEMBL3617814 | 0.50 | — | — | |
| SCHEMBL5383540 | 0.50 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-3995095-A | Modification of polymers by treatment with olefins | PHILLIPS PETROLEUM COMPANY (US) | 1976-11-30 | — | — | US | claimed |
| US-7390360-B2 | Organometallic compounds | ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) | 2008-06-24 | — | — | US | disclosed |
| US-20060115595-A1 | Organometallic compounds | ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) | 2006-06-01 | — | — | US | disclosed |
| EP-1645656-A1 | Organometallic compounds suitable for use in vapor deposition processes | Rohm and Haas Electronic Materials, L.L.C. (US) | 2006-04-12 | — | — | EP | disclosed |
| US-4072807-A | OLEFIN DISPROPORTIONATION CATALYST | PHILLIPS PETROLEUM COMPANY (US) | 1978-02-07 | — | — | US | disclosed |
| US-4010217-A | NITROSYL MOLYBDENUM OR TUNGSTEN COORDINATION CATALYST, ORGANOALUMINUM ADJUVANT | PHILLIPS PETROLEUM COMPANY (US) | 1977-03-01 | — | — | US | disclosed |
| US-3995095-A | Modification of polymers by treatment with olefins | PHILLIPS PETROLEUM COMPANY (US) | 1976-11-30 | — | — | US | disclosed |