⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20825108 | 0.83 | — | — | |
| SCHEMBL29264545 | 0.80 | KEAP1 (0.38) | — | |
| SCHEMBL2992961 | 0.80 | KEAP1 (0.42) | — | |
| SCHEMBL5800007 | 0.78 | KEAP1 (0.46) | — | |
| SCHEMBL11636866 | 0.77 | KEAP1 (0.40) | — | |
| SCHEMBL11345353 | 0.77 | ALDH1A1 (0.40) | — | |
| SCHEMBL15286188 | 0.75 | KEAP1 (0.43) | — | |
| SCHEMBL9784442 | 0.75 | KEAP1 (0.43) | — | |
| SCHEMBL30979690 | 0.74 | — | — | |
| SCHEMBL6647747 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-10662142-B2 | Process for production of aromatic compounds comprising at least two amine functions | RHODIA OPERATIONS (FR) | 2020-05-26 | — | — | US | disclosed |
| US-20190292128-A1 | PROCESS FOR PRODUCTION OF AROMATIC COMPOUNDS COMPRISING AT LEAST TWO AMINE FUNCTIONS | SPECIALTY OPERATIONS FRANCE (FR) | 2019-09-26 | — | — | US | disclosed |
| CN-110177777-A | For producing the method for containing at least two the aromatic compound of amine functional group | 罗地亚经营管理公司 | 2019-08-27 | — | — | CN | disclosed |
| CN-108431156-A | Oxalate-polyamine thermoset composition | 3M创新有限公司 | 2018-08-21 | — | — | CN | disclosed |