⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27338235 | 0.94 | — | — | |
| SCHEMBL27338220 | 0.93 | — | — | |
| SCHEMBL27338236 | 0.89 | — | — | |
| SCHEMBL27338240 | 0.89 | — | — | |
| SCHEMBL27338481 | 0.89 | ALDH1A1 (0.31) | — | |
| SCHEMBL27338237 | 0.88 | — | — | |
| SCHEMBL27338243 | 0.87 | ALDH1A1 (0.30) | — | |
| SCHEMBL5136985 | 0.86 | TSHR (0.35) | — | |
| SCHEMBL27338244 | 0.84 | — | — | |
| SCHEMBL22611957 | 0.80 | TSHR (0.39) | — |
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-20240218154-A1 | OLEFIN-BASED POLYMER AND PEROXIDE COMPOSITIONS WITH EXCELLENT CURE RESPONSE | DOW GLOBAL TECHNOLOGIES LLC (US) | 2024-07-04 | — | — | US | disclosed |