⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20955870 | 1.00 | — | — | |
| SCHEMBL20980110 | 0.82 | ATM (0.36) | — | |
| SCHEMBL20955913 | 0.81 | MEN1 (0.31) | — | |
| SCHEMBL20955911 | 0.81 | MEN1 (0.31) | — | |
| SCHEMBL20955878 | 0.79 | PAM (0.40) | — | |
| SCHEMBL20955880 | 0.79 | PAM (0.40) | — | |
| SCHEMBL20955879 | 0.79 | PAM (0.40) | — | |
| SCHEMBL20955884 | 0.79 | GRIK1 (0.36) | — | |
| SCHEMBL20955883 | 0.79 | GRIK1 (0.36) | — | |
| SCHEMBL20955877 | 0.79 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3480190-B1 | METHODS FOR ENANTIOSELECTIVE ALLYLIC ALKYLATION OF ESTERS, LACTONES, AND LACTAMS WITH UNACTIVATED ALLYLIC ALCOHOLS | CALIFORNIA INST OF TECHN (US) | 2023-01-04 | — | — | EP | disclosed |
| US-10745354-B2 | Methods for enantioselective allylic alkylation of esters, lactones, and lactams with unactivated allylic alcohols | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2020-08-18 | — | — | US | disclosed |
| US-20200048201-A1 | METHODS FOR ENANTIOSELECTIVE ALLYLIC ALKYLATION OF ESTERS, LACTONES, AND LACTAMS WITH UNACTIVATED ALLYLIC ALCOHOLS | CALIFORNIA INSTITUTE OF TECHNOLOGY | 2020-02-13 | — | — | US | disclosed |
| US-10358422-B2 | Methods for enantioselective allylic alkylation of esters, lactones, and lactams with unactivated allylic alcohols | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2019-07-23 | — | — | US | disclosed |
| US-20190135754-A1 | METHODS FOR ENANTIOSELECTIVE ALLYLIC ALKYLATION OF ESTERS, LACTONES, AND LACTAMS WITH UNACTIVATED ALLYLIC ALCOHOLS | CALIFORNIA INSTITUTE OF TECHNOLOGY | 2019-05-09 | — | — | US | disclosed |
| EP-3480190-A1 | METHODS FOR ENANTIOSELECTIVE ALLYLIC ALKYLATION OF ESTERS, LACTONES, AND LACTAMS WITH UNACTIVATED ALLYLIC ALCOHOLS | California Institute of Technology (US) | 2019-05-08 | — | — | EP | disclosed |