⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1365046 | 0.76 | — | — | |
| SCHEMBL18981019 | 0.74 | EGFR (0.40) | — | |
| SCHEMBL9862486 | 0.72 | — | — | |
| SCHEMBL1687492 | 0.72 | PRKCA (0.44) | — | |
| SCHEMBL15304338 | 0.70 | LMNA (0.41) | — | |
| SCHEMBL14113510 | 0.70 | LMNA (0.37) | — | |
| SCHEMBL6353232 | 0.69 | LMNA (0.33) | — | |
| SCHEMBL11683063 | 0.69 | SIRT2 (0.56) | — | |
| SCHEMBL3061543 | 0.69 | KDM4E (0.30) | — | |
| SCHEMBL11880572 | 0.67 | KDM4E (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20210403445-A1 | SYSTEMS AND METHODS FOR REGIOSELECTIVE CARBONYLATION OF 2,2-DISUBSTITUTED EPOXIDES | CORNELL UNIVERSITY | 2021-12-30 | — | — | US | disclosed |
| US-20210403445-A1 | SYSTEMS AND METHODS FOR REGIOSELECTIVE CARBONYLATION OF 2,2-DISUBSTITUTED EPOXIDES | CORNELL UNIVERSITY | 2021-12-30 | — | — | US | disclosed |
| WO-2020102816-A1 | SYSTEMS AND METHODS FOR REGIOSELECTIVE CARBONYLATION OF 2,2-DISUBSTITUTED EPOXIDES | CORNELL UNIVERSITY (US) | 2020-05-22 | — | — | WO | disclosed |
| WO-2020102816-A1 | SYSTEMS AND METHODS FOR REGIOSELECTIVE CARBONYLATION OF 2,2-DISUBSTITUTED EPOXIDES | CORNELL UNIVERSITY (US) | 2020-05-22 | — | — | WO | disclosed |
| US-20090124787-A1 | Method for Producing Polyhydroxyalkanoates | BASF AKTIENGESELLSCHAFT (DE) | 2009-05-14 | — | — | US | disclosed |
| EP-1874845-B1 | METHOD FOR PRODUCING POLYHYDROXYALKANOATES | BASF SE (DE) | 2008-08-27 | — | — | EP | disclosed |
| EP-1874845-A2 | METHOD FOR PRODUCING POLYHYDROXYALKANOATES | BASF AKTIENGESELLSCHAFT (DE) | 2008-01-09 | — | — | EP | disclosed |
| WO-2006108829-A2 | METHOD FOR PRODUCING POLYHYDROXYALKANOATES | BASF AKTIENGESELLSCHAFT (DE) | 2006-10-19 | — | — | WO | disclosed |
| WO-2006058681-A2 | METHOD FOR PRODUCING ENANTIOMER-ENRICHED LACTONES | BASF AKTIENGESELLSCHAFT (DE) | 2006-06-08 | — | — | WO | disclosed |