⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL689173 | 0.71 | — | — | |
| SCHEMBL2927166 | 0.70 | — | — | |
| SCHEMBL4155416 | 0.65 | — | — | |
| SCHEMBL2048749 | 0.59 | — | — | |
| SCHEMBL4156096 | 0.59 | — | — | |
| SCHEMBL9549249 | 0.57 | HRH3 (0.33) | — | |
| SCHEMBL9683918 | 0.57 | — | — | |
| SCHEMBL13781404 | 0.55 | — | — | |
| SCHEMBL22416512 | 0.55 | — | — | |
| SCHEMBL24692957 | 0.54 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20020103381-A1 | Method for the synthesis of pyrazolines | CHEMRX ADVANCED TECHNOLOGIES, INC. | 2002-08-01 | — | — | US | claimed |
| WO-2001040193-A1 | METHOD FOR THE SYNTHESIS OF PYRAZOLINES | CHEMRX ADVANCED TECHNOLOGIES, INC. (US) | 2001-06-07 | — | — | WO | claimed |
| US-20020103381-A1 | Method for the synthesis of pyrazolines | CHEMRX ADVANCED TECHNOLOGIES, INC. | 2002-08-01 | — | — | US | disclosed |
| WO-2001040193-A1 | METHOD FOR THE SYNTHESIS OF PYRAZOLINES | CHEMRX ADVANCED TECHNOLOGIES, INC. (US) | 2001-06-07 | — | — | WO | disclosed |