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 SCHEMBL11327569 | 1.00 | CA4 (0.35) | — | |
| Bromide SCHEMBL11327562 | 0.97 | CA4 (0.33) | — | |
| SCHEMBL37140 | 0.97 | — | — | |
| Fluoride Ion SCHEMBL6315266 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL73874 | 0.93 | — | — | |
| Ammonia Solution, Strong SCHEMBL23611461 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL3796670 | 0.93 | CA4 (0.35) | — | |
| Zinc Ion SCHEMBL11571036 | 0.93 | — | — | |
| Iodide SCHEMBL18428509 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL8384341 | 0.93 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0746540-A1 | PREPARATION OF 4,6-DIAMINORESORCINOL THROUGH A BISAZOARYLRESORCINOL INTERMEDIATE | THE DOW CHEMICAL COMPANY (US) | 1996-12-11 | — | — | EP | disclosed |
| US-5453542-A | Preparation of 4,6-diaminoresorcinol through a bisazoarylresorcinol intermediate | THE DOW CHEMICAL COMPANY (US) | 1995-09-26 | — | — | US | disclosed |
| WO-1995023130-A1 | PREPARATION OF 4,6-DIAMINORESORCINOL THROUGH A BISAZOARYLRESORCINOL INTERMEDIATE | THE DOW CHEMICAL COMPANY (US) | 1995-08-31 | — | — | WO | disclosed |
| EP-0172697-B1 | Octahydro-oxazolo[4,5-g]quinolines | ELI LILLY AND COMPANY (US) | 1991-09-25 | — | — | EP | disclosed |
| US-4698347-A | HYPOTENSIVE AGENTS, ANTIDEPRESSANTS, SEXUAL DISFUNCTION, PARKINSONS DISEASE | ELI LILLY AND COMPANY (US) | 1987-10-06 | — | — | US | disclosed |
| US-4659832-A | REACTING UREA (OR ISOUREA) WITH 6-OXO-BROMO-QUINOLINE | ELI LILLY AND COMPANY (US) | 1987-04-21 | — | — | US | disclosed |
| EP-0172697-A2 | Octahydro-oxazolo[4,5-g]quinolines | ELI LILLY AND COMPANY (US) | 1986-02-26 | — | — | EP | disclosed |
| US-3970454-A | N,N-DIALKYL-1,2,3,4-TETRAHYDRO-5-AMINO-8-HYDROXY-QUINOLINIUM | EASTMAN KODAK COMPANY (US) | 1976-07-20 | — | — | US | disclosed |