⚠ 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 | |
|---|---|---|---|---|
| Methyl Alcohol SCHEMBL28025685 | 1.00 | — | — | |
| Methyl Alcohol SCHEMBL27580271 | 0.95 | — | — | |
| SCHEMBL134032 | 0.82 | — | — | |
| SCHEMBL18760074 | 0.82 | — | — | |
| SCHEMBL27646 | 0.82 | — | — | |
| Methyl Alcohol SCHEMBL9248414 | 0.80 | ALDH1A1 (0.73) | — | |
| Methyl Alcohol SCHEMBL9858726 | 0.77 | ALDH1A1 (0.67) | — | |
| Methyl Alcohol SCHEMBL29255746 | 0.77 | ALDH1A1 (0.67) | — | |
| Alcohol SCHEMBL1300258 | 0.77 | — | — | |
| Methyl Alcohol SCHEMBL4649824 | 0.77 | ALDH1A1 (0.67) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107141437-B | Crystallization-controllable thermoplastic polyurethane material and preparation method thereof | 万华化学集团股份有限公司 | 2020-03-03 | — | — | CN | disclosed |
| WO-2009004430-A1 | N-BENZYL OXAZOLIDINONES AND RELATED HETEROCYCLEIC COMPOUNDS AS POTENTIATORS OF GLUTAMATE RECEPTORS | PFIZER INC. (US) | 2009-01-08 | — | — | WO | disclosed |
| JP-2000327568-A | APOPTOSIS INDUCER | NIPPON KAYAKU CO LTD | 2000-11-28 | — | — | JP | disclosed |