⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3049830 | 0.80 | SLC6A2 (0.54) | — | |
| SCHEMBL29914092 | 0.80 | SLC6A2 (0.54) | — | |
| SCHEMBL6227535 | 0.80 | SLC6A2 (0.54) | — | |
| SCHEMBL478032 | 0.80 | — | — | |
| SCHEMBL331474 | 0.80 | — | — | |
| Ammonia Solution, Strong SCHEMBL28456403 | 0.78 | SLC6A2 (0.52) | — | |
| SCHEMBL29715183 | 0.78 | SLC6A2 (0.52) | — | |
| Hydrochloric Acid SCHEMBL6588210 | 0.78 | SLC6A2 (0.52) | — | |
| Hydrochloric Acid SCHEMBL31050781 | 0.78 | SLC6A2 (0.52) | — | |
| SCHEMBL29715186 | 0.78 | SLC6A2 (0.52) | — |
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-6900200-B2 | Tricyclic hydroxy carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists | WYETH (US) | 2005-05-31 | — | — | US | disclosed |
| EP-1381613-A1 | ANTIDEPRESSANT AZAHETEROCYCLYLMETHYL DERIVATIVES OF OXAHETEROCYCLE-FUSED- 1,4]-BENZODIOXANS | Wyeth (US) | 2004-01-21 | — | — | EP | disclosed |
| EP-1377583-A1 | NOVEL TRICYCLIC HYDROXY CARBOXAMIDES AND DERIVATIVES THEREOF; TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS | Wyeth (US) | 2004-01-07 | — | — | EP | disclosed |
| US-20030018026-A1 | Novel tricyclic hydroxy carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists | WYETH (US) | 2003-01-23 | — | — | US | disclosed |
| WO-2002088135-A1 | ANTIDEPRESSANT AZAHETEROCYCLYLMETHYL DERIVATIVES OF OXAHETEROCYCLE-FUSED-[1,4]-BENZODIOXANS | WYETH (US) | 2002-11-07 | — | — | WO | disclosed |
| WO-2002083680-A1 | NOVEL TRICYCLIC HYDROXY CARBOXAMIDES AND DERIVATIVES THEREOF TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS | WYETH (US) | 2002-10-24 | — | — | WO | disclosed |