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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8024864 | 0.96 | — | — | |
| Bromide SCHEMBL8036430 | 0.71 | — | — | |
| SCHEMBL8034645 | 0.69 | — | — | |
| SCHEMBL8024868 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL8040767 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL8036363 | 0.63 | — | — | |
| Bromide SCHEMBL8036386 | 0.59 | KDM4E (0.31) | — | |
| SCHEMBL1004361 | 0.57 | — | — | |
| SCHEMBL2872291 | 0.53 | — | — | |
| SCHEMBL168554 | 0.47 | GRIN2D (0.36) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0796875-B1 | Process for the preparation of crystalline vinylaromatic polymers with a predominant syndiotactic structure | ENICHEM SPA (IT) | 2000-03-29 | — | — | EP | disclosed |
| US-5721327-A | Process for the preparation of crystalline vinylaromatic polymers with a predominant syndiotactic structure | ENICHEM S.P.A. (IT) | 1998-02-24 | — | — | US | disclosed |
| EP-0796875-A2 | Process for the preparation of crystalline vinylaromatic polymers with a predominant syndiotactic structure | ENICHEM S.p.A. (IT) | 1997-09-24 | — | — | EP | disclosed |