⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11804458 | 0.67 | ALOX15 (0.33) | — | |
| SCHEMBL15129680 | 0.60 | TSHR (0.38) | — | |
| SCHEMBL10882749 | 0.56 | — | — | |
| SCHEMBL1568160 | 0.50 | — | — | |
| SCHEMBL5875746 | 0.50 | — | — | |
| SCHEMBL21951564 | 0.49 | — | — | |
| SCHEMBL11650902 | 0.47 | — | — | |
| SCHEMBL88172 | 0.47 | — | — | |
| SCHEMBL13496566 | 0.46 | — | — | |
| SCHEMBL107804 | 0.46 | — | — |
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-4054543-A | Phosphorus-containing polyols as flame retardant agents for polyurethanes | UNIROYAL, INC. (US) | 1977-10-18 | — | — | US | disclosed |
| US-3970726-A | FIREPROOFING POLYURETHANES | UNIROYAL, INC. (US) | 1976-07-20 | — | — | US | disclosed |