⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8824525 | 0.68 | — | — | |
| SCHEMBL19088950 | 0.68 | — | — | |
| SCHEMBL7946818 | 0.68 | — | — | |
| SCHEMBL1645489 | 0.65 | — | — | |
| Bicarbonate SCHEMBL5672740 | 0.65 | ALDH1A1 (0.31) | — | |
| SCHEMBL18870650 | 0.64 | — | — | |
| SCHEMBL22666039 | 0.64 | — | — | |
| SCHEMBL17188850 | 0.64 | — | — | |
| SCHEMBL17787599 | 0.62 | — | — | |
| SCHEMBL899795 | 0.62 | ALDH1A1 (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013096631-A1 | LIGANDS FOR RHODIUM CATALYZED REDUCTIVE CARBONYLATION OF ALCOHOLS | DOW GLOBAL TECHNOLOGIES LLC (US) | 2013-06-27 | — | — | WO | disclosed |