⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9843091 | 0.80 | — | — | |
| SCHEMBL15738133 | 0.73 | — | — | |
| SCHEMBL10698152 | 0.69 | — | — | |
| SCHEMBL11664578 | 0.65 | — | — | |
| SCHEMBL295496 | 0.65 | — | — | |
| SCHEMBL29080523 | 0.65 | — | — | |
| SCHEMBL497760 | 0.63 | — | — | |
| Isopropyl Alcohol SCHEMBL29031793 | 0.61 | ALDH1A1 (0.50) | — | |
| SCHEMBL29624197 | 0.61 | — | — | |
| SCHEMBL1669550 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1998006770-A1 | A WATER MISCIBLE THERMAL QUENCHING AGENT | THE DOW CHEMICAL COMPANY (US) | 1998-02-19 | — | — | WO | claimed |