⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1070805 | 0.91 | — | — | |
| Ammonia Solution, Strong SCHEMBL6813185 | 0.86 | — | — | |
| SCHEMBL2831777 | 0.86 | — | — | |
| SCHEMBL10663628 | 0.86 | — | — | |
| Water SCHEMBL8133442 | 0.86 | — | — | |
| Methylamine SCHEMBL11382056 | 0.82 | — | — | |
| Perchlorate SCHEMBL2831779 | 0.64 | — | — | |
| Perchlorate SCHEMBL1814840 | 0.64 | TSHR (0.38) | — | |
| Perchlorate SCHEMBL9561394 | 0.64 | — | — | |
| Perchlorate SCHEMBL1609513 | 0.64 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1339672-A1 | METHOD FOR REDUCING THE CONTENT OF AN UNSATURATED AMINE IN A MIXTURE CONTAINING AN AMINE AND A NITRILE | BASF AKTIENGESELLSCHAFT (DE) | 2003-09-03 | — | — | EP | claimed |
| WO-2002044135-A1 | METHOD FOR REDUCING THE CONTENT OF AN UNSATURATED AMINE IN A MIXTURE CONTAINING AN AMINE AND A NITRILE | BASF AKTIENGESELLSCHAFT (DE) | 2002-06-06 | — | — | WO | claimed |