⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18364905 | 1.00 | — | — | |
| SCHEMBL20473284 | 0.85 | — | — | |
| SCHEMBL14081838 | 0.85 | — | — | |
| SCHEMBL14081831 | 0.85 | — | — | |
| SCHEMBL14882600 | 0.84 | NEU2 (0.32) | — | |
| SCHEMBL29012790 | 0.84 | NEU2 (0.32) | — | |
| SCHEMBL17404785 | 0.81 | NEU2 (0.31) | — | |
| SCHEMBL17404826 | 0.81 | NEU2 (0.31) | — | |
| SCHEMBL15879687 | 0.81 | LMNA (0.33) | — | |
| SCHEMBL28366315 | 0.81 | LMNA (0.33) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170002384-A1 | RECOMBINANT MICROORGANISM HAVING ENHANCED D(-) 2,3-BUTANEDIOL PRODUCING ABILITY AND METHOD FOR PRODUCING D(-) 2,3-BUTANEDIOL USING THE SAME | GS CALTEX CORPORATION (KR) | 2017-01-05 | — | — | US | disclosed |