Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of None. 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 | |
|---|---|---|---|---|
| SCHEMBL29906327 | 0.87 | — | — | |
| SCHEMBL1138795 | 0.87 | — | — | |
| SCHEMBL416451 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL14243988 | 0.75 | — | — | |
| SCHEMBL2301487 | 0.75 | — | — | |
| SCHEMBL6035401 | 0.75 | — | — | |
| SCHEMBL1933382 | 0.75 | — | — | |
| SCHEMBL3868408 | 0.75 | — | — | |
| SCHEMBL7267994 | 0.75 | — | — | |
| SCHEMBL4429584 | 0.75 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1062200-B1 | AMINONITRILE PRODUCTION | INVISTA TECH SARL (US) | 2004-11-10 | — | — | EP | disclosed |
| EP-1415981-A1 | Aminonitrile production | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 2004-05-06 | — | — | EP | disclosed |
| EP-1062200-A1 | AMINONITRILE PRODUCTION | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 2000-12-27 | — | — | EP | disclosed |
| US-5986127-A | HYDROGENATION OF DINITRILE | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1999-11-16 | — | — | US | disclosed |
| WO-1999047492-A1 | AMINONITRILE PRODUCTION | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1999-09-23 | — | — | WO | disclosed |