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 | |
|---|---|---|---|---|
| SCHEMBL14104344 | 0.99 | — | — | |
| Hydrochloric Acid SCHEMBL4802669 | 0.87 | CA1 (0.30) | — | |
| SCHEMBL14104303 | 0.86 | CA1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL1152262 | 0.83 | CA1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL1152259 | 0.83 | CA1 (0.31) | — | |
| SCHEMBL14104351 | 0.83 | KDM4E (0.34) | — | |
| SCHEMBL839121 | 0.82 | CA1 (0.32) | — | |
| SCHEMBL483865 | 0.82 | CA1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL4804844 | 0.81 | POLB (0.31) | — | |
| Hydrochloric Acid SCHEMBL4803994 | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050028300-A1 | Use of tetra-azapentamethine compounds as direct dyeing agents and novel tetraazapentamethine compounds | L'OREAL (FR) | 2005-02-10 | — | — | US | claimed |
| US-7399320-B2 | Use of tetra-azapentamethine compounds as direct dyeing agents and novel tetra-azapentamethine compounds | L'OREAL (FR) | 2008-07-15 | — | — | US | disclosed |
| US-20080092307-A1 | Use of tetra-azapentamethine compounds as direct dyeing agents and novel tetra-azapentamethine compounds | L'OREAL (FR) | 2008-04-24 | — | — | US | disclosed |
| US-7311736-B2 | Use of tetra-azapentamethine compounds as direct dyeing agents and novel tetra-azapentamethine compounds | L'OREAL (FR) | 2007-12-25 | — | — | US | disclosed |
| US-20050028300-A1 | Use of tetra-azapentamethine compounds as direct dyeing agents and novel tetraazapentamethine compounds | L'OREAL (FR) | 2005-02-10 | — | — | US | disclosed |