⚠ 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 | |
|---|---|---|---|---|
| Propane SCHEMBL28140436 | 0.92 | — | — | |
| SCHEMBL1069198 | 0.90 | ALDH1A1 (0.31) | — | |
| SCHEMBL19751822 | 0.90 | ALDH1A1 (0.31) | — | |
| SCHEMBL1069199 | 0.90 | ALDH1A1 (0.31) | — | |
| SCHEMBL1081630 | 0.90 | ALDH1A1 (0.31) | — | |
| SCHEMBL43488 | 0.90 | ALDH1A1 (0.31) | — | |
| SCHEMBL20462167 | 0.90 | ALDH1A1 (0.31) | — | |
| Hexane SCHEMBL23420630 | 0.87 | CYP1A2 (0.36) | — | |
| SCHEMBL560016 | 0.86 | — | — | |
| SCHEMBL22899012 | 0.84 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3470134-A1 | A COMPOSITION COMPRISING SOLVENT AND HEAT RESISTANT CAPSULES | AGFA NV (BE) | 2019-04-17 | — | — | EP | disclosed |
| US-9111687-B2 | Electrolyte composition for dye-sensitized solar cell | ETERNAL MATERIALS CO., LTD. (TW) | 2015-08-18 | — | — | US | disclosed |
| US-20140175325-A1 | ELECTROLYTE COMPOSITION FOR DYE-SENSITIZED SOLAR CELL | ETERNAL CHEMICAL CO., LTD. | 2014-06-26 | — | — | US | disclosed |
| EP-1096314-B1 | Lithographic printing plate precursor | FUJIFILM CORP (JP) | 2011-10-19 | — | — | EP | disclosed |
| US-7994716-B2 | Impact and color resistant organic electroluminescent display panel | ULVAC, INC. (JP) | 2011-08-09 | — | — | US | disclosed |
| EP-0938513-A1 | POLYISOCYANATES CONTAINING TIN AND METHOD FOR PREPARING POLYISOCYANATE-POLYADDITION PRODUCTS | BASF AKTIENGESELLSCHAFT (DE) | 1999-09-01 | — | — | EP | disclosed |
| WO-1998022520-A1 | POLYISOCYANATES CONTAINING TIN AND METHOD FOR PREPARING POLYISOCYANATE-POLYADDITION PRODUCTS | BASF AKTIENGESELLSCHAFT (DE) | 1998-05-28 | — | — | WO | disclosed |
| EP-0012379-A1 | Laquer mixture and coating material containing polyamide hydantoins | BAYER AG (DE) | 1980-06-25 | — | — | EP | disclosed |
| EP-0012381-A1 | Process for the preparation of compounds containing hydantoin groups | BAYER AG (DE) | 1980-06-25 | — | — | EP | disclosed |