⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28202382 | 0.82 | — | — | |
| SCHEMBL20017876 | 0.75 | — | — | |
| SCHEMBL24323127 | 0.73 | — | — | |
| SCHEMBL776857 | 0.73 | — | — | |
| SCHEMBL9901640 | 0.73 | — | — | |
| SCHEMBL7967482 | 0.71 | — | — | |
| SCHEMBL7967487 | 0.71 | — | — | |
| SCHEMBL24332266 | 0.71 | — | — | |
| SCHEMBL11691743 | 0.69 | — | — | |
| SCHEMBL27266190 | 0.69 | CYP2D6 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105658646-B | Aminoheteroaryl benzamide as kinase inhibitor | 诺华股份有限公司 | 2018-11-27 | — | — | CN | disclosed |
| CN-106132962-B | Macrocyclic compounds having an aromatic P2' group as factor XIA inhibitors | 百时美施贵宝公司 | 2018-09-07 | — | — | CN | disclosed |
| CN-108350028-A | PEPTIDE MACROCYCLES AGAINST ACINETOBACTER BAUMANNII | 豪夫迈·罗氏有限公司 | 2018-07-31 | — | — | CN | disclosed |
| CN-108137547-A | It can be used as the heterocyclic compound of TNF α conditioning agent | 百时美施贵宝公司 | 2018-06-08 | — | — | CN | disclosed |
| CN-106132962-A | Macrocyclic compounds having an aromatic P2' group as factor XIA inhibitors | 百时美施贵宝公司 | 2016-11-16 | — | — | CN | disclosed |
| CN-105658646-A | Aminoheteroaryl benzamides as kinase inhibitors | 诺华股份有限公司 | 2016-06-08 | — | — | CN | disclosed |