⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23415031 | 0.91 | ALOX15 (0.42) | — | |
| Acetic Acid SCHEMBL7948562 | 0.91 | ALDH1A1 (0.42) | — | |
| SCHEMBL26106671 | 0.85 | LMNA (0.48) | — | |
| SCHEMBL13438857 | 0.85 | — | — | |
| Citronellal SCHEMBL4181091 | 0.82 | ALOX15 (0.75) | — | |
| SCHEMBL26108523 | 0.81 | ALDH1A1 (0.34) | — | |
| SCHEMBL14218259 | 0.78 | — | — | |
| SCHEMBL829262 | 0.78 | — | — | |
| SCHEMBL1966551 | 0.78 | LMNA (0.41) | — | |
| SCHEMBL9333797 | 0.77 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0155002-A2 | Hydroformylation of 3-methyl-3-buten-1-ol and use of such hydroformylation products | KURARAY CO., LTD. (JP) | 1985-09-18 | — | — | EP | claimed |
| CN-106699713-B | Method for preparing 2-hydroxy-4-methyl tetrahydropyran | 万华化学集团股份有限公司 | 2020-04-10 | — | — | CN | disclosed |
| US-6767929-B2 | CATALYSIS USING DIALKYLAMINOALKYL ALCOHOL | KAO CORPORATION (JP) | 2004-07-27 | — | — | US | disclosed |
| EP-1270630-A1 | PROCESS FOR PRODUCING POLYURETHANE | Kao Corporation (JP) | 2003-01-02 | — | — | EP | disclosed |
| US-20030004220-A1 | Process for producing polyurethane | KAO CORPORATION (JP) | 2003-01-02 | — | — | US | disclosed |
| US-4861922-A | Hydroformylation of 3-methyl-3-buten-1-ol and analogs thereof and use of such hydroformylation products | KURARAY COMPANY, LTD. (JP) | 1989-08-29 | — | — | US | disclosed |
| US-4663468-A | RHODIUM CATALYST, COPPER AND ZINC OR CHROMIUM OXIDES CATALYST | KURARAY COMPANY, LTD. (JP) | 1987-05-05 | — | — | US | disclosed |
| EP-0155002-A2 | Hydroformylation of 3-methyl-3-buten-1-ol and use of such hydroformylation products | KURARAY CO., LTD. (JP) | 1985-09-18 | — | — | EP | disclosed |