⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2787313 | 0.72 | — | — | |
| SCHEMBL7784781 | 0.72 | MCL1 (0.49) | — | |
| SCHEMBL3660115 | 0.70 | — | — | |
| SCHEMBL29127602 | 0.70 | — | — | |
| SCHEMBL12728673 | 0.70 | — | — | |
| SCHEMBL194923 | 0.70 | — | — | |
| SCHEMBL5174113 | 0.70 | — | — | |
| SCHEMBL8617390 | 0.70 | — | — | |
| SCHEMBL9316783 | 0.69 | LRRK2 (0.47) | — | |
| SCHEMBL9221741 | 0.68 | KMO (0.45) | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109438340-A | A kind of preparation process of the chloro- nicotinonitrile of 2- | 老河口市天和科技有限公司 | 2019-03-08 | — | — | CN | disclosed |
| CN-109438340-A | A kind of preparation process of the chloro- nicotinonitrile of 2- | 老河口市天和科技有限公司 | 2019-03-08 | — | — | CN | disclosed |
| CN-109232412-A | The preparation method of the chloro- nicotinonitrile of 2- | 老河口市天和科技有限公司 | 2019-01-18 | — | — | CN | disclosed |
| CN-109182286-A | Improved cyano reductase and application thereof in synthesis of 3-chloropyrazine-2 methylamine | 泰州学院 | 2019-01-11 | — | — | CN | disclosed |
| CN-208265806-U | 2- chlorine apellagrin waste water extraction recovery device | 沧州临港亚诺化工有限公司 | 2018-12-21 | — | — | CN | disclosed |
| WO-2012106448-A1 | HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS | BIOCRYST PHARMACEUTICALS, INC. (US) | 2012-08-09 | — | — | WO | disclosed |
| US-20120149662-A1 | Heterocyclic Compounds as Janus Kinase Inhibitors | BIOCRYST PHARMACEUTICALS, INC. (US) | 2012-06-14 | — | — | US | disclosed |
| US-20120149662-A1 | Heterocyclic Compounds as Janus Kinase Inhibitors | BIOCRYST PHARMACEUTICALS, INC. (US) | 2012-06-14 | — | — | US | disclosed |
| EP-0490063-B1 | Process for the preparation of insecticidal, acaricidal and molluscicidal 2-halopyrrole-3-carbonitrile compounds | AMERICAN CYANAMID CO (US) | 1998-04-29 | — | — | EP | disclosed |
| EP-0490063-A2 | Process for the preparation of insecticidal, acaricidal and molluscicidal 2-halopyrrole-3-carbonitrile compounds | AMERICAN CYANAMID COMPANY (US) | 1992-06-17 | — | — | EP | disclosed |
| US-5116998-A | Process for the preparation of insecticidal, acaricidal and mollusicidal 2-halopyrrole-3-carbonitrile compounds | AMERICAN CYANAMID COMPANY (US) | 1992-05-26 | — | — | US | disclosed |
| US-5041556-A | Process for the preparation of insecticidal, acaricidal and molluscicidal 2-halopyrrole-3-carbonitrile compounds | AMERICAN CYANAMID COMPANY (US) | 1991-08-20 | — | — | US | disclosed |