⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5373833 | 0.79 | RIPK1 (0.33) | — | |
| SCHEMBL2487952 | 0.77 | ESR1 (0.34) | — | |
| SCHEMBL12136745 | 0.77 | ESR1 (0.34) | — | |
| SCHEMBL339880 | 0.77 | ESR1 (0.39) | — | |
| SCHEMBL12136768 | 0.77 | — | — | |
| SCHEMBL6547559 | 0.75 | ESR1 (0.38) | — | |
| SCHEMBL6546676 | 0.75 | ESR1 (0.38) | — | |
| SCHEMBL26676505 | 0.75 | ALDH1A1 (0.38) | — | |
| SCHEMBL6547160 | 0.75 | ESR1 (0.38) | — | |
| SCHEMBL17391474 | 0.74 | ESR1 (0.32) | — |
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-20110311830-A1 | INTUMESCENT COMPOSTION | AKZO NOBEL COATINGS INTERNATIONAL B. V. (NL) | 2011-12-22 | — | — | US | disclosed |