⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9913329 | 0.70 | — | — | |
| SCHEMBL502840 | 0.70 | — | — | |
| SCHEMBL27856067 | 0.67 | — | — | |
| SCHEMBL733684 | 0.67 | — | — | |
| SCHEMBL620462 | 0.67 | — | — | |
| Alcohol SCHEMBL6557331 | 0.67 | ALDH1A1 (0.30) | — | |
| Tert-Butanol SCHEMBL7011387 | 0.65 | — | — | |
| SCHEMBL4274503 | 0.65 | CYP4F2 (0.31) | — | |
| SCHEMBL5450077 | 0.65 | — | — | |
| SCHEMBL4119722 | 0.64 | TSHR (0.38) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4002171-A | Water-dispersible ionic polyurethane binder for nonwoven fabrics | PERSONAL PRODUCTS COMPANY (US) | 1977-01-11 | — | — | US | disclosed |