⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30161 | 0.97 | — | — | |
| SCHEMBL10353078 | 0.97 | TDP1 (0.62) | — | |
| Hydrochloric Acid SCHEMBL1983040 | 0.93 | — | — | |
| Fluoride SCHEMBL9160417 | 0.93 | — | — | |
| Ethylenediamine SCHEMBL2316185 | 0.93 | TDP1 (0.59) | — | |
| Water SCHEMBL11668621 | 0.93 | — | — | |
| Ammonia Solution, Strong SCHEMBL5152043 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL1194920 | 0.93 | — | — | |
| SCHEMBL626592 | 0.93 | — | — | |
| Ammonia Solution, Strong SCHEMBL2638718 | 0.93 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7109193-B2 | Tricyclic diazepines tocolytic oxytocin receptor antagonists | WYETH (US) | 2006-09-19 | — | — | US | disclosed |
| CN-1273469-C | Tricyclic diazepines as tocolytic oxytocin receptor antagonists | WYETH CORP (US) | 2006-09-06 | — | — | CN | disclosed |
| EP-1377586-B1 | TRICYCLIC DIAZEPINES AS TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS | WYETH CORP (US) | 2006-03-22 | — | — | EP | disclosed |
| EP-1377586-A1 | TRICYCLIC DIAZEPINES AS TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS | Wyeth (US) | 2004-01-07 | — | — | EP | disclosed |
| US-20030008863-A1 | Novel tricyclic diazepines tocolytic oxytocin receptor antagonists | WYETH | 2003-01-09 | — | — | US | disclosed |
| WO-2002083678-A1 | TRICYCLIC DIAZEPINES AS TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS | WYETH (US) | 2002-10-24 | — | — | WO | disclosed |