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 | |
|---|---|---|---|---|
| SCHEMBL3227420 | 0.96 | — | — | |
| SCHEMBL1865678 | 0.89 | — | — | |
| SCHEMBL29035871 | 0.88 | — | — | |
| SCHEMBL10697505 | 0.73 | — | — | |
| Tetrahydrofuran SCHEMBL29044172 | 0.68 | ALDH1A1 (0.38) | — | |
| SCHEMBL4942883 | 0.68 | — | — | |
| SCHEMBL14225509 | 0.67 | SLC6A3 (0.36) | — | |
| SCHEMBL2568405 | 0.67 | — | — | |
| SCHEMBL4743643 | 0.67 | — | — | |
| SCHEMBL4485360 | 0.67 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114044757-B | Triazole-4- (N-substituted formamide) -5-triazene compound as well as preparation method and application thereof | 浙江大学 | 2023-06-09 | — | — | CN | claimed |
| CN-114044757-B | Triazole-4- (N-substituted formamide) -5-triazene compound as well as preparation method and application thereof | 浙江大学 | 2023-06-09 | — | — | CN | disclosed |