⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19197249 | 0.93 | ALDH1A1 (0.31) | — | |
| SCHEMBL9928455 | 0.88 | — | — | |
| SCHEMBL19929369 | 0.86 | MAPT (0.33) | — | |
| SCHEMBL6552411 | 0.83 | MAPT (0.34) | — | |
| SCHEMBL9881098 | 0.81 | TSHR (0.37) | — | |
| SCHEMBL21065651 | 0.80 | SMN1; SMN2 (0.36) | — | |
| SCHEMBL19196929 | 0.78 | THRB (0.35) | — | |
| SCHEMBL19197238 | 0.78 | TSHR (0.31) | — | |
| SCHEMBL6552421 | 0.77 | — | — | |
| SCHEMBL19929366 | 0.77 | CYP1A2 (0.33) | — |
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-8450413-B2 | Non-isocyanate-based polyurethane and hybrid polyurethane-epoxy nanocomposite polymer compositions | HUNTSMAN ADVANCED MATERIALS AMERICAS LLC (US) | 2013-05-28 | — | — | US | disclosed |