⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL301586 | 0.75 | ALDH1A1 (0.36) | — | |
| SCHEMBL31282291 | 0.75 | — | — | |
| SCHEMBL217612 | 0.75 | — | — | |
| SCHEMBL22961002 | 0.73 | — | — | |
| SCHEMBL18651759 | 0.73 | — | — | |
| SCHEMBL8651516 | 0.72 | — | — | |
| SCHEMBL31735930 | 0.72 | — | — | |
| SCHEMBL11301061 | 0.72 | ALDH1A1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL29078659 | 0.72 | — | — | |
| SCHEMBL7772585 | 0.72 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170080409-A1 | CATALYSTS FOR EPOXIDE CARBONYLATION | NOVOMER, INC. (US) | 2017-03-23 | — | — | US | disclosed |
| US-20170080409-A1 | CATALYSTS FOR EPOXIDE CARBONYLATION | NOVOMER, INC. (US) | 2017-03-23 | — | — | US | disclosed |
| US-7423168-B2 | Reacting allyl starting compound with oxygen nucleophilic agent in presence of transition metal catalyst and monodentate phosphite | MITSUBISHI CHEMICAL CORPORATION (JP) | 2008-09-09 | — | — | US | disclosed |
| US-20040092777-A1 | Method for producing allyl compound | MITSUBISHI CHEMICAL CORPORATION (JP) | 2004-05-13 | — | — | US | disclosed |