⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5169628 | 0.72 | TDP1 (0.44) | — | |
| SCHEMBL127087 | 0.69 | — | — | |
| SCHEMBL8172443 | 0.67 | — | — | |
| SCHEMBL8161659 | 0.67 | — | — | |
| SCHEMBL3389327 | 0.67 | — | — | |
| SCHEMBL5172485 | 0.67 | TDP1 (0.39) | — | |
| SCHEMBL18886162 | 0.67 | — | — | |
| SCHEMBL1014049 | 0.65 | — | — | |
| SCHEMBL1017397 | 0.65 | — | — | |
| SCHEMBL1016843 | 0.63 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3762452-A1 | NEW POLYISOCYANATE COMPOSITIONS | Vencorex France (FR) | 2021-01-13 | — | — | EP | disclosed |
| WO-2019170674-A1 | NEW POLYISOCYANATE COMPOSITIONS | VENCOREX FRANCE (FR) | 2019-09-12 | — | — | WO | disclosed |
| CN-1957010-B | Antioxidant and recording medium using the same | CANON FINETECH INC | 2010-06-16 | — | — | CN | disclosed |
| CN-1957010-A | Antioxidant and recording medium using the same | CANON FINETECH INC (JP) | 2007-05-02 | — | — | CN | disclosed |
| US-RE36736-E | Substituted pyrroles | HOFFMAN-LA ROCHE INC. (US) | 2000-06-13 | — | — | US | disclosed |
| EP-0328026-B1 | SUBSTITUTED PYRROLES | F. HOFFMANN-LA ROCHE AG (CH) | 1993-04-28 | — | — | EP | disclosed |
| US-5057614-A | Antiinflammatory, immunology, bronchodilator agents, cardiovascular disorders | HOFFMANN-LA ROCHE INC. (US) | 1991-10-15 | — | — | US | disclosed |
| EP-0328026-A1 | Substituted pyrroles | F. HOFFMANN-LA ROCHE AG (CH) | 1989-08-16 | — | — | EP | disclosed |