⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21623697 | 0.82 | MCHR1 (0.33) | — | |
| SCHEMBL1302277 | 0.72 | PIK3CG (0.53) | — | |
| SCHEMBL15655042 | 0.72 | HDAC1 (0.32) | — | |
| SCHEMBL20379172 | 0.71 | SCN5A (0.41) | — | |
| SCHEMBL1691372 | 0.70 | ALDH1A3 (0.54) | — | |
| SCHEMBL20533633 | 0.68 | MCHR1 (0.33) | — | |
| SCHEMBL29020708 | 0.68 | RAB9A (0.33) | — | |
| SCHEMBL22234588 | 0.68 | PDE10A (0.34) | — | |
| SCHEMBL1426320 | 0.67 | KDM4E (0.39) | — | |
| SCHEMBL24293981 | 0.66 | PIK3CA (0.38) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115919859-B | Pharmaceutical composition of heteroaryl derivative and application of pharmaceutical composition in medicine | 四川海思科制药有限公司 | 2024-01-05 | — | — | CN | disclosed |
| CN-115919859-A | Pharmaceutical composition of heteroaryl derivative and application thereof in medicine | 四川海思科制药有限公司 | 2023-04-07 | — | — | CN | disclosed |