⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2041709 | 1.00 | — | — | |
| SCHEMBL17822429 | 1.00 | — | — | |
| SCHEMBL29284292 | 1.00 | — | — | |
| SCHEMBL979628 | 1.00 | — | — | |
| SCHEMBL982345 | 1.00 | — | — | |
| SCHEMBL981739 | 1.00 | — | — | |
| SCHEMBL4968606 | 1.00 | — | — | |
| SCHEMBL1677872 | 0.97 | — | — | |
| SCHEMBL982266 | 0.97 | — | — | |
| SCHEMBL1540909 | 0.93 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3233778-A1 | METHOD FOR SYNTHESIZING OPTICALLY ACTIVE CARBONYL COMPOUNDS | BASF SE (DE) | 2017-10-25 | — | — | EP | disclosed |
| WO-2016097242-A1 | METHOD FOR SYNTHESIZING OPTICALLY ACTIVE CARBONYL COMPOUNDS | BASF SE (DE) | 2016-06-23 | — | — | WO | disclosed |