⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7934705 | 0.69 | — | — | |
| SCHEMBL21485 | 0.62 | — | — | |
| Dimethylamine SCHEMBL6390578 | 0.61 | TSHR (0.42) | — | |
| SCHEMBL930240 | 0.60 | ALDH1A1 (0.33) | — | |
| SCHEMBL583850 | 0.60 | — | — | |
| Methane SCHEMBL8358747 | 0.60 | TSHR (0.33) | — | |
| SCHEMBL8663586 | 0.60 | — | — | |
| Methylamine SCHEMBL6742860 | 0.60 | ALDH1A1 (0.33) | — | |
| Methyl Alcohol SCHEMBL2102608 | 0.60 | ALDH1A1 (0.33) | — | |
| Selenium SCHEMBL11494964 | 0.60 | 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-6201059-B1 | SULFUR VULCANIZED RUBBER OF NATURAL RUBBER OR DIENE, MONOMER RUBBER | THE GOODYEAR TIRE & RUBBER COMPANY | 2001-03-13 | — | — | US | disclosed |