⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2267194 | 0.83 | — | — | |
| SCHEMBL2563620 | 0.73 | — | — | |
| SCHEMBL35739 | 0.71 | TSHR (0.32) | — | |
| SCHEMBL969420 | 0.69 | — | — | |
| SCHEMBL2102908 | 0.69 | — | — | |
| SCHEMBL705451 | 0.69 | — | — | |
| SCHEMBL2567197 | 0.67 | ALDH1A1 (0.33) | — | |
| SCHEMBL2566043 | 0.67 | ALDH1A1 (0.33) | — | |
| SCHEMBL2566474 | 0.67 | ALDH1A1 (0.33) | — | |
| SCHEMBL2566433 | 0.67 | ALDH1A1 (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-4448939-A | SYNTHETIC RUBBERS; COATINGS; ADHESIVES | AIR PRODUCTS AND CHEMICALS, INC. (US) | 1984-05-15 | — | — | US | disclosed |