⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5848486 | 0.79 | — | — | |
| SCHEMBL17923692 | 0.76 | ALDH1A1 (0.32) | — | |
| SCHEMBL5045911 | 0.73 | — | — | |
| SCHEMBL9205277 | 0.73 | — | — | |
| SCHEMBL11176419 | 0.68 | — | — | |
| SCHEMBL6682147 | 0.68 | CYP3A4 (0.31) | — | |
| SCHEMBL6684629 | 0.65 | — | — | |
| SCHEMBL6682019 | 0.64 | CASP3 (0.30) | — | |
| SCHEMBL11178182 | 0.63 | — | — | |
| SCHEMBL27434676 | 0.61 | LMNA (0.39) | — |
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-7112696-B2 | Preparation of phosphorus compounds | BAYER CHEMICALS AG (DE) | 2006-09-26 | — | — | US | disclosed |
| US-20050020835-A1 | Preparation of phosphorus compounds | LANXESS DEUTSCHLAND GMBH (DE) | 2005-01-27 | — | — | US | disclosed |
| EP-1475384-A1 | Process for preparing phosphorus compounds | Bayer Chemicals AG (DE) | 2004-11-10 | — | — | EP | disclosed |