⚠ 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 | |
|---|---|---|---|---|
| Water SCHEMBL8832205 | 0.91 | — | — | |
| SCHEMBL13952185 | 0.79 | — | — | |
| SCHEMBL22050053 | 0.79 | — | — | |
| SCHEMBL17348570 | 0.76 | — | — | |
| SCHEMBL18385839 | 0.73 | GRIN2D (0.33) | — | |
| SCHEMBL19122487 | 0.72 | — | — | |
| SCHEMBL15927296 | 0.71 | — | — | |
| SCHEMBL16659517 | 0.70 | — | — | |
| SCHEMBL16659516 | 0.69 | — | — | |
| SCHEMBL2786155 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021078021-A1 | SMALL MOLECULAR COMPOUND | 嘉兴特科罗生物科技有限公司 | 2021-04-29 | — | — | WO | disclosed |
| US-9096608-B2 | Pharmaceutically active pyrazolo-triazine derivatives | LEAD DISCOVERY CENTER GMBH (DE) | 2015-08-04 | — | — | US | disclosed |
| US-20150111873-A1 | PHARMACEUTICALLY ACTIVE PYRAZOLO-TRIAZINE DERIVATIVES | LEAD DISCOVERY CENTER GMBH (DE) | 2015-04-23 | — | — | US | disclosed |