⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15615010 | 0.67 | — | — | |
| SCHEMBL1053856 | 0.62 | — | — | |
| SCHEMBL9998880 | 0.51 | — | — | |
| SCHEMBL2178472 | 0.51 | — | — | |
| SCHEMBL16527296 | 0.48 | — | — | |
| SCHEMBL12185105 | 0.48 | — | — | |
| SCHEMBL9720420 | 0.48 | — | — | |
| SCHEMBL8592618 | 0.48 | — | — | |
| SCHEMBL2230540 | 0.48 | CTSD (0.43) | — | |
| SCHEMBL11046730 | 0.47 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9567345-B2 | Pharmaceutically active pyrazolo-triazine derivatives | LEAD DISCOVERY CENTER GMBH (DE) | 2017-02-14 | — | — | US | 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 |