⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6864722 | 0.91 | CA2 (0.36) | — | |
| SCHEMBL27466107 | 0.82 | — | — | |
| SCHEMBL7124852 | 0.79 | TDP1 (0.30) | — | |
| SCHEMBL1068452 | 0.73 | PRKCA (0.40) | — | |
| SCHEMBL6862501 | 0.73 | PRKCA (0.33) | — | |
| SCHEMBL8366046 | 0.72 | PRKCA (0.35) | — | |
| SCHEMBL8040190 | 0.72 | TSHR (0.41) | — | |
| SCHEMBL217482 | 0.72 | CYP3A4 (0.55) | — | |
| SCHEMBL29368285 | 0.72 | CYP3A4 (0.55) | — | |
| SCHEMBL15780155 | 0.71 | MAPT (0.40) | — |
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-1382596-A1 | Novel poly (monoperoxycarbonates) | Atofina Chemicals, Inc. (US) | 2004-01-21 | — | — | EP | disclosed |
| EP-0879224-B1 | NOVEL POLY(MONOPEROXYCARBONATES) | ATOFINA CHEM INC (US) | 2003-10-22 | — | — | EP | disclosed |
| US-5760149-A | POLYMERIZATION INITIATORS, CURING AGENTS | ELF ATOCHEM NORTH AMERICA, INC. (US) | 1998-06-02 | — | — | US | disclosed |