⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL823008 | 0.72 | CYP1A2 (0.31) | — | |
| SCHEMBL13286715 | 0.68 | TSHR (0.37) | — | |
| SCHEMBL823003 | 0.67 | CYP1A2 (0.35) | — | |
| SCHEMBL8763913 | 0.66 | EPHX1 (0.32) | — | |
| SCHEMBL12904834 | 0.66 | — | — | |
| SCHEMBL8676487 | 0.66 | — | — | |
| SCHEMBL17131985 | 0.66 | — | — | |
| SCHEMBL13471387 | 0.66 | CYP1A2 (0.32) | — | |
| SCHEMBL16903717 | 0.65 | — | — | |
| SCHEMBL13286657 | 0.64 | CYP1A2 (0.31) | — |
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-8058322-B2 | Flame-retardant flexible polyurethane foam | ICL-IP AMERICA INC. (US) | 2011-11-15 | — | — | US | disclosed |
| US-20090281205-A1 | Flame-retardant flexible polyurethane foam | ICL-IP AMERICA INC. | 2009-11-12 | — | — | US | disclosed |