⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13508815 | 0.73 | — | — | |
| SCHEMBL2458238 | 0.73 | — | — | |
| SCHEMBL2748513 | 0.73 | — | — | |
| SCHEMBL14155796 | 0.69 | — | — | |
| SCHEMBL20356517 | 0.67 | — | — | |
| SCHEMBL8977 | 0.67 | — | — | |
| SCHEMBL14157770 | 0.67 | — | — | |
| Methylsulfanylmethane SCHEMBL28069519 | 0.67 | HTR1A (0.31) | — | |
| SCHEMBL22781257 | 0.65 | — | — | |
| SCHEMBL11214086 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3312179-A1 | FUSED-RING OR TRICYCLIC ARYL PYRIMIDINE COMPOUND USED AS KINASE INHIBITOR | GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) | 2018-04-25 | — | — | EP | disclosed |