⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10525 | 0.91 | — | — | |
| Ethane SCHEMBL29217351 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL28588487 | 0.87 | — | — | |
| SCHEMBL10935291 | 0.87 | CHRM2 (0.31) | — | |
| SCHEMBL9576489 | 0.87 | CHRM2 (0.31) | — | |
| Alcohol SCHEMBL18730186 | 0.82 | — | — | |
| Ethylene Glycol SCHEMBL10815430 | 0.82 | — | — | |
| Bicarbonate SCHEMBL9804594 | 0.82 | — | — | |
| SCHEMBL11804677 | 0.77 | — | — | |
| Propanol SCHEMBL1011194 | 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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3455277-A1 | METHOD FOR THE PREPARATION OF POLYOXYALKYLENE POLYOLS | Covestro Deutschland AG (DE) | 2019-03-20 | — | — | EP | disclosed |
| EP-1712551-B1 | 3-Methyl oxetanemethanol derivatives and their use in perfume compositions | INT FLAVORS & FRAGRANCES INC (US) | 2012-11-21 | — | — | EP | disclosed |
| US-20070265180-A1 | 3-Methyl Oxetanemethanol Derivatives and Their Use in Perfume Compositions | INTERNATION FLAVORS & FRAGRANCES INC. | 2007-11-15 | — | — | US | disclosed |
| US-7265231-B2 | 3-methyl oxetanemethanol derivatives and their use in perfume compositions | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 2007-09-04 | — | — | US | disclosed |
| US-20060234882-A1 | 3-Methyl oxetanemethanol derivatives and their use in perfume compositions | INTERNATIONAL FLAVORS & FRAGRANCES INC. | 2006-10-19 | — | — | US | disclosed |
| EP-1712551-A1 | 3-Methyl oxetanemethanol derivatives and their use in perfume compositions | INTERNATIONAL FLAVORS & FRAGRANCES, INC. (US) | 2006-10-18 | — | — | EP | disclosed |
| US-5099058-A | N, N-disubstituted oligourethanes and polyurethanes, a process for their preparation, and their use in the production of plastics | BAYER AKTIENGESELLSCHAFT, LEVERKUSEN, GERMANY, A CORP. OF GERMANY | 1992-03-24 | — | — | US | disclosed |