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 | |
|---|---|---|---|---|
| SCHEMBL3408 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL6062599 | 0.84 | — | — | |
| Water SCHEMBL28059483 | 0.84 | — | — | |
| SCHEMBL28188787 | 0.84 | — | — | |
| Bromide SCHEMBL27408822 | 0.84 | — | — | |
| SCHEMBL28896442 | 0.84 | — | — | |
| Water SCHEMBL15166701 | 0.84 | — | — | |
| Hydrochloric Acid SCHEMBL637674 | 0.84 | — | — | |
| Ammonia Solution, Strong SCHEMBL28189626 | 0.80 | — | — | |
| Methyl Alcohol SCHEMBL28028191 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6790971-B1 | AMIDE OR CARBAMATE FUNCTION AT 11 BETA-POSITION; CLAIMED 3-ONE-DIENE INTERMEDIATE HAS HYDROXYMETHYLALKYL GROUP ON 11 POSITION; ANTIPROGESTOMIMETIC; HORMONE-DEPENDENT TUMORS; ANIMAL HUSBANDRY | AVENTIS PHARMA S.A. (FR) | 2004-09-14 | — | — | US | disclosed |
| US-5707982-A | ANTITUMOR | ROUSSEL UCLAF (FR) | 1998-01-13 | — | — | US | disclosed |
| US-5290771-A | 19-nor-steroids | ROUSSEL UCLAF (FR) | 1994-03-01 | — | — | US | disclosed |
| US-5149696-A | Antiestrogens | ROUSSEL UCLAF (FR) | 1992-09-22 | — | — | US | disclosed |