⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21780666 | 0.90 | — | — | |
| SCHEMBL22759617 | 0.90 | — | — | |
| SCHEMBL21780555 | 0.90 | — | — | |
| SCHEMBL24839954 | 0.81 | CHRM1 (0.36) | — | |
| SCHEMBL22241026 | 0.79 | CHRM1 (0.32) | — | |
| SCHEMBL19785502 | 0.79 | CHRM1 (0.32) | — | |
| SCHEMBL26936377 | 0.79 | CHRM1 (0.32) | — | |
| SCHEMBL24839953 | 0.78 | CHRM1 (0.37) | — | |
| SCHEMBL22142468 | 0.78 | CHRM1 (0.38) | — | |
| SCHEMBL24953026 | 0.75 | CHRM1 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |