⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1151202 | 0.85 | CA2 (0.35) | — | |
| SCHEMBL7151445 | 0.85 | CA2 (0.35) | — | |
| SCHEMBL10419819 | 0.85 | CA2 (0.35) | — | |
| SCHEMBL28066823 | 0.85 | CA2 (0.35) | — | |
| SCHEMBL9812954 | 0.79 | CA2 (0.36) | — | |
| SCHEMBL27594926 | 0.79 | CA2 (0.36) | — | |
| SCHEMBL4988602 | 0.78 | MAPK1 (0.30) | — | |
| SCHEMBL4622683 | 0.78 | MAPK1 (0.30) | — | |
| SCHEMBL30583251 | 0.78 | MAPK1 (0.30) | — | |
| SCHEMBL4216207 | 0.78 | MAPK1 (0.30) | — |
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-20150166499-A1 | SMALL MOLECULE CATALYST FOR 5-HYDROXYMETHYLFURFURAL PRODUCTION FROM SACCHARIDES | NANYANG TECHNOLOGICAL UNIVERSITY (SG) | 2015-06-18 | — | — | US | disclosed |