⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18464503 | 0.71 | — | — | |
| SCHEMBL21964595 | 0.66 | HCAR2 (0.34) | — | |
| SCHEMBL12778669 | 0.62 | — | — | |
| SCHEMBL31464989 | 0.57 | NOTUM (0.40) | — | |
| SCHEMBL31305748 | 0.57 | HCAR3 (0.37) | — | |
| SCHEMBL22147446 | 0.54 | — | — | |
| SCHEMBL14320129 | 0.54 | — | — | |
| SCHEMBL14074306 | 0.49 | — | — | |
| SCHEMBL5935507 | 0.49 | — | — | |
| SCHEMBL1821173 | 0.45 | — | — |
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-108290881-A | Therapeutic compounds and methods of use thereof | 健泰科生物技术公司 | 2018-07-17 | — | — | CN | disclosed |
| CN-107344941-A | Tetrahydropyrazolopyrimidine compounds | 卫材R&D管理有限公司 | 2017-11-14 | — | — | CN | disclosed |
| CN-104507939-B | tetrahydropyrazolopyrimidine compounds | 卫材R&D管理有限公司 | 2017-07-25 | — | — | CN | disclosed |