⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7889872 | 0.67 | — | — | |
| SCHEMBL10118996 | 0.66 | — | — | |
| SCHEMBL10250626 | 0.66 | — | — | |
| SCHEMBL22879195 | 0.63 | — | — | |
| SCHEMBL22308236 | 0.63 | — | — | |
| SCHEMBL9719966 | 0.61 | — | — | |
| SCHEMBL12166680 | 0.61 | — | — | |
| SCHEMBL10100300 | 0.61 | APLNR (0.44) | — | |
| SCHEMBL21402016 | 0.61 | ALDH1A1 (0.30) | — | |
| SCHEMBL3964647 | 0.57 | GAA (0.42) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017140274-A1 | TRICYCLIC COMPOUND SERVING AS IMMUNOMODULATOR | 正大天晴药业集团股份有限公司 | 2017-08-24 | — | — | WO | disclosed |