⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL932582 | 0.73 | — | — | |
| SCHEMBL3102586 | 0.69 | — | — | |
| SCHEMBL357270 | 0.69 | — | — | |
| SCHEMBL3118419 | 0.69 | — | — | |
| SCHEMBL7623308 | 0.69 | — | — | |
| SCHEMBL3102593 | 0.69 | — | — | |
| SCHEMBL2261361 | 0.69 | — | — | |
| SCHEMBL3150130 | 0.69 | — | — | |
| SCHEMBL13028911 | 0.68 | HRH3 (0.40) | — | |
| SCHEMBL13865650 | 0.68 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1555257-B1 | PROCESS FOR PRODUCING AROMATIC NITRILE COMPOUND | IHARA CHEMICAL IND CO (JP) | 2010-01-20 | — | — | EP | disclosed |
| CN-100339360-C | Process for producing aromatic nitrile compound | IHARA CHEMICAL IND CO (JP) | 2007-09-26 | — | — | CN | disclosed |
| US-7262316-B2 | Process for producing aromatic nitrile compound | IHARA CHEMICAL INDUSTRY CO., LTD. (JP) | 2007-08-28 | — | — | US | disclosed |
| US-20060069282-A1 | Process for producing aromatic nitrile compound | IHARA CHEMICAL INDUSTRY CO., LTD. (JP) | 2006-03-30 | — | — | US | disclosed |
| CN-1714074-A | Method for producing aromatic nitrile compound | IHARA CHEMICAL IND CO (JP) | 2005-12-28 | — | — | CN | disclosed |
| EP-1555257-A1 | PROCESS FOR PRODUCING AROMATIC NITRILE COMPOUND | IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) | 2005-07-20 | — | — | EP | disclosed |