⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7348088 | 0.79 | CCR5 (0.30) | — | |
| SCHEMBL7364139 | 0.70 | TSHR (0.32) | — | |
| SCHEMBL20128344 | 0.69 | NOS3 (0.33) | — | |
| SCHEMBL7359971 | 0.69 | — | — | |
| SCHEMBL7357216 | 0.68 | ALDH1A1 (0.32) | — | |
| SCHEMBL9784629 | 0.67 | TSHR (0.31) | — | |
| SCHEMBL16599987 | 0.66 | CA12 (0.42) | — | |
| SCHEMBL4062005 | 0.65 | — | — | |
| SCHEMBL27770582 | 0.65 | — | — | |
| SCHEMBL459954 | 0.65 | CYP2A6 (0.43) | — |
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-0805681-A4 | TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 1998-05-06 | — | — | EP | disclosed |
| EP-0805681-A1 | TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 1997-11-12 | — | — | EP | disclosed |
| WO-1996022775-A1 | TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 1996-08-01 | — | — | WO | disclosed |