⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27924523 | 0.76 | ALDH1A1 (0.33) | — | |
| SCHEMBL27842119 | 0.71 | EPHX2 (0.33) | — | |
| SCHEMBL6860899 | 0.70 | NPSR1 (0.39) | — | |
| SCHEMBL888525 | 0.69 | LMNA (0.37) | — | |
| SCHEMBL819750 | 0.69 | EPHX2 (0.34) | — | |
| SCHEMBL28307438 | 0.67 | EPHX2 (0.35) | — | |
| SCHEMBL26843987 | 0.66 | HSD11B1 (0.37) | — | |
| SCHEMBL888522 | 0.66 | EPHX2 (0.39) | — | |
| SCHEMBL6860587 | 0.61 | ALDH1A1 (0.31) | — | |
| SCHEMBL4712061 | 0.60 | EPHX2 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6794528-B2 | HEAT RESISTANCE, FLAME RETARDERS, STABILIZERS; REACTING DIALCOHOL COMPOUND WITH A PHOSPHYL OXYCHLORIDE COMPOUND | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2004-09-21 | — | — | US | disclosed |
| US-20030109736-A1 | Phosphorus compound | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2003-06-12 | — | — | US | disclosed |
| EP-1277758-A1 | PHOSPHORUS COMPOUND | Daicel Chemical Industries, Ltd. (JP) | 2003-01-22 | — | — | EP | disclosed |