⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8636532 | 0.96 | — | — | |
| SCHEMBL8318561 | 0.69 | — | — | |
| SCHEMBL8673272 | 0.67 | — | — | |
| SCHEMBL8653798 | 0.62 | — | — | |
| SCHEMBL7814566 | 0.56 | — | — | |
| Pyridazine SCHEMBL11423 | 0.49 | TSHR (0.42) | — | |
| Pyridazine SCHEMBL29471424 | 0.49 | — | — | |
| Pyridazine SCHEMBL5104 | 0.49 | — | — | |
| Pyridazine SCHEMBL21405425 | 0.46 | — | — | |
| Pyridazine SCHEMBL5361937 | 0.46 | — | — |
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-5807850-A | Therapeutic agent for osteoporosis and triazepine compound | JAPAN TOBACCO, INC. (JP) | 1998-09-15 | — | — | US | claimed |
| US-5807850-A | Therapeutic agent for osteoporosis and triazepine compound | JAPAN TOBACCO, INC. (JP) | 1998-09-15 | — | — | US | disclosed |