Known targets — ChEMBL curated mechanism
ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1
The experimentally established mechanism targets of Ammonia Solution, Strong. 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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL29349849 | 0.82 | — | — | |
| Bromide SCHEMBL20876 | 0.82 | — | — | |
| Ammonia Solution, Strong SCHEMBL10370838 | 0.82 | — | — | |
| Bromide SCHEMBL14964797 | 0.82 | — | — | |
| Bromide SCHEMBL10632482 | 0.67 | — | — | |
| Ammonia Solution, Strong SCHEMBL6231769 | 0.67 | — | — | |
| Bromide SCHEMBL6456578 | 0.67 | — | — | |
| Water SCHEMBL9321452 | 0.67 | — | — | |
| Bromide SCHEMBL21063374 | 0.67 | — | — | |
| Bromide SCHEMBL2687322 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2418207-A1 | Sulfone compounds which modulate the CB2 receptor | Boehringer Ingelheim International GmbH (DE) | 2012-02-15 | — | — | EP | disclosed |
| US-20120015988-A1 | Sulfone Compounds Which Modulate The CB2 Receptor | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-01-19 | — | — | US | disclosed |
| EP-2283001-A2 | SULFONE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR | Boehringer Ingelheim International GmbH (DE) | 2011-02-16 | — | — | EP | disclosed |
| WO-2009140089-A2 | SULFONE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-11-19 | — | — | WO | disclosed |