⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8458146 | 0.75 | — | — | |
| SCHEMBL9513359 | 0.70 | — | — | |
| SCHEMBL9513367 | 0.68 | — | — | |
| SCHEMBL11829242 | 0.64 | — | — | |
| SCHEMBL44900 | 0.57 | — | — | |
| SCHEMBL30910409 | 0.52 | — | — | |
| Acetone SCHEMBL28846007 | 0.47 | — | — | |
| Acetic Acid SCHEMBL31005292 | 0.47 | — | — | |
| Acetone SCHEMBL10051950 | 0.46 | — | — | |
| Acetone SCHEMBL7459124 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0568437-B1 | Antidepressant 3-Halophenylpiperazinyl-propyl Derivatives of Substituted Triazolones and Triazoldiones | BRISTOL MYERS SQUIBB CO (US) | 2001-02-21 | — | — | EP | disclosed |
| EP-0568437-A1 | Antidepressant 3-Halophenylpiperazinyl-propyl Derivatives of Substituted Triazolones and Triazoldiones | Bristol-Myers Squibb Company (US) | 1993-11-03 | — | — | EP | disclosed |
| US-5256664-A | Antidepressant 3-halophenylpiperazinylpropyl derivatives of substituted triazolones and triazoldiones | BRISTOL-MYERS SQUIBB COMPANY (US) | 1993-10-26 | — | — | US | disclosed |