⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11708219 | 0.97 | — | — | |
| SCHEMBL7616941 | 0.81 | — | — | |
| SCHEMBL11718525 | 0.79 | ALDH1A1 (0.31) | — | |
| SCHEMBL11711070 | 0.78 | — | — | |
| SCHEMBL30686 | 0.75 | ALDH1A1 (0.36) | — | |
| SCHEMBL11710675 | 0.74 | — | — | |
| SCHEMBL34476 | 0.73 | TSHR (0.35) | — | |
| SCHEMBL5704215 | 0.71 | — | — | |
| SCHEMBL9051572 | 0.71 | — | — | |
| SCHEMBL9169096 | 0.71 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4097641-A | TRIESTERS OF PENTAVALENT PHOSPHORUS ACID, WITH EMULSIFIER | VELSICOL CHEMICAL CORPORATION (US) | 1978-06-27 | — | — | US | disclosed |
| US-4083825-A | Novel phosphate esters and non-scorching flame retardant polyurethane compositions containing them | VELSICOL CHEMICAL CORPORATION (US) | 1978-04-11 | — | — | US | disclosed |