Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
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.
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 | |
|---|---|---|---|---|
| SCHEMBL97616 | 0.97 | — | — | |
| SCHEMBL5691762 | 0.97 | CYP1A2 (0.74) | — | |
| Ammonia Solution, Strong SCHEMBL28122694 | 0.94 | CYP1A2 (0.70) | — | |
| Ammonia Solution, Strong SCHEMBL266627 | 0.94 | — | — | |
| Water SCHEMBL17800056 | 0.94 | — | — | |
| SCHEMBL10568305 | 0.94 | CYP1A2 (0.70) | — | |
| Iodide SCHEMBL8824339 | 0.94 | — | — | |
| SCHEMBL10568311 | 0.94 | CYP1A2 (0.70) | — | |
| Methyl Alcohol SCHEMBL2872344 | 0.91 | — | — | |
| SCHEMBL8462718 | 0.91 | CYP1A2 (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0253838-B1 | CATALYTIC METHOD FOR PRODUCING FLUOROAROMATIC COMPOUNDS USING N-SEC-ALKYL PYRIDINIUM SALTS | MALLINCKRODT SPECIALTY CHEMICALS COMPANY (US) | 1991-08-21 | — | — | EP | disclosed |
| US-4973771-A | Phase transfer catalysts | MALLINCKRODT, INC. (US) | 1990-11-27 | — | — | US | disclosed |
| WO-1987004149-A1 | PHASE TRANSFER CATALYSTS | MALLINCKRODT, INC. (US) | 1987-07-16 | — | — | WO | disclosed |