⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28021894 | 0.79 | — | — | |
| SCHEMBL13134207 | 0.79 | — | — | |
| SCHEMBL30822602 | 0.79 | — | — | |
| SCHEMBL1224735 | 0.79 | — | — | |
| SCHEMBL28562684 | 0.79 | — | — | |
| SCHEMBL27075635 | 0.79 | — | — | |
| SCHEMBL23177488 | 0.76 | P2RX7 (0.44) | — | |
| SCHEMBL17394915 | 0.76 | P2RX7 (0.48) | — | |
| SCHEMBL17394912 | 0.76 | P2RX7 (0.48) | — | |
| SCHEMBL24579548 | 0.75 | P2RX7 (0.52) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110120541-A | Proton-conductive films and fuel cell | 丰田自动车株式会社 | 2019-08-13 | — | — | CN | disclosed |
| CN-108368084-A | Biaryl kinase inhibitors | 百时美施贵宝公司 | 2018-08-03 | — | — | CN | disclosed |
| CN-102858767-B | As the aminopyrimidine of SYK inhibitor | MERCK SHARP & DOHME CORP. (US) | 2015-08-19 | — | — | CN | disclosed |