⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29145244 | 0.78 | — | — | |
| SCHEMBL7060090 | 0.75 | OPRM1 (0.31) | — | |
| SCHEMBL5268911 | 0.73 | — | — | |
| SCHEMBL11350847 | 0.72 | — | — | |
| SCHEMBL18040205 | 0.70 | — | — | |
| SCHEMBL9262454 | 0.70 | — | — | |
| SCHEMBL3128043 | 0.70 | — | — | |
| SCHEMBL20833519 | 0.69 | — | — | |
| SCHEMBL27668571 | 0.69 | — | — | |
| SCHEMBL15115490 | 0.69 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2019183304-A1 | URETDIONE BASED POLYURETHANE COMPOSITIONS | COVESTRO LLC (US) | 2019-09-26 | — | — | WO | claimed |
| US-20190292305-A1 | URETDIONE BASED POLYURETHANE COMPOSITIONS | COVESTRO LLC | 2019-09-26 | — | — | US | claimed |
| WO-2019183304-A1 | URETDIONE BASED POLYURETHANE COMPOSITIONS | COVESTRO LLC (US) | 2019-09-26 | — | — | WO | disclosed |
| US-20190292305-A1 | URETDIONE BASED POLYURETHANE COMPOSITIONS | COVESTRO LLC | 2019-09-26 | — | — | US | disclosed |
| EP-1569975-A2 | PHENOLIC RESINS | ANGUS CHEMICAL COMPANY (US) | 2005-09-07 | — | — | EP | disclosed |
| WO-2004050733-A2 | PHENOLIC RESINS | ANGUS CHEMICAL COMPANY (US) | 2004-06-17 | — | — | WO | disclosed |
| EP-0001466-B1 | U.V.-CURABLE COATING COMPOSITION | AKZO N.V. (NL) | 1981-06-10 | — | — | EP | disclosed |
| US-4164459-A | A TETRAHYDRO-1,3-OXAZINE OR OXAZOLIDINE COMPOUND AS ACCELERATOR | AKZO N.V. (NL) | 1979-08-14 | — | — | US | disclosed |
| EP-0001466-A1 | U.V.-curable coating composition | AKZO N.V. (NL) | 1979-04-18 | — | — | EP | disclosed |