⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12306264 | 0.83 | ALDH1A1 (0.30) | — | |
| SCHEMBL12306263 | 0.79 | — | — | |
| SCHEMBL12306261 | 0.79 | — | — | |
| SCHEMBL28853778 | 0.79 | — | — | |
| SCHEMBL156352 | 0.78 | — | — | |
| SCHEMBL28826695 | 0.71 | — | — | |
| SCHEMBL29793069 | 0.69 | — | — | |
| Acetic Acid SCHEMBL7399722 | 0.68 | OPRM1 (0.35) | — | |
| SCHEMBL13404201 | 0.67 | KCNA4 (0.31) | — | |
| SCHEMBL15187596 | 0.66 | OPRM1 (0.35) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5753659-A | ANTICOAGULANTS FOR BLOOD DISORDER, CARDIOVASCULAR DISORDER, THROMBOSIS, | ZENECA LIMITED (GB) | 1998-05-19 | — | — | US | disclosed |
| US-5750754-A | TERTIARY BUTYL 3-METHYL-4-SUBSTITUTED BUTYRATE; CHEMICAL INTERMEDIATES FOR ANTICAOGULANT DRUGS | ZENECA LIMITED (GB) | 1998-05-12 | — | — | US | disclosed |
| US-5563141-A | INHIBIT CELL ADHESION FOR EXAMPLE, PLATELET AGGRE GATION | ZENECA LIMITED (GB) | 1996-10-08 | — | — | US | disclosed |
| EP-0690847-A1 | HETEROCYCLIC COMPOUNDS AS PLATELET AGGREGATION INHIBITORS | ZENECA LIMITED (GB) | 1996-01-10 | — | — | EP | disclosed |
| WO-1994022835-A2 | HETEROCYCLIC COMPOUNDS AS PLATELET AGGREGATION INHIBITORS | ZENECA LIMITED (GB) | 1994-10-13 | — | — | WO | disclosed |