⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21161 | 0.87 | ALDH1A1 (0.38) | — | |
| SCHEMBL251421 | 0.87 | ALDH1A1 (0.38) | — | |
| SCHEMBL28554930 | 0.84 | ALDH1A1 (0.36) | — | |
| SCHEMBL6568311 | 0.84 | ALDH1A1 (0.36) | — | |
| SCHEMBL19348358 | 0.83 | ALDH1A1 (0.32) | — | |
| SCHEMBL2349277 | 0.82 | ALDH1A1 (0.38) | — | |
| SCHEMBL2343833 | 0.82 | ALDH1A1 (0.38) | — | |
| SCHEMBL2136410 | 0.81 | ALDH1A1 (0.31) | — | |
| 1,4-Butanediol SCHEMBL5909563 | 0.80 | SMN1; SMN2 (0.50) | — | |
| Benzene SCHEMBL28228638 | 0.80 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0733618-B1 | Monocarbonates, use thereof and process for the preparation of compositions containing monocarbonates | MITSUI CHEMICALS INC (JP) | 1999-06-09 | — | — | EP | disclosed |
| US-5656578-A | COMPATIBLE LUBRICATING OIL; DIELECTRICS, CLEANING PROPERTY | MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) | 1997-08-12 | — | — | US | disclosed |
| EP-0733618-A2 | Monocarbonates, use thereof and process for the preparation of compositions containing monocarbonates | MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) | 1996-09-25 | — | — | EP | disclosed |