⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14303224 | 0.77 | — | — | |
| Bicarbonate SCHEMBL15573951 | 0.74 | MMP1 (0.37) | — | |
| SCHEMBL431531 | 0.72 | — | — | |
| SCHEMBL5889543 | 0.72 | — | — | |
| SCHEMBL3083091 | 0.72 | — | — | |
| Thiourea SCHEMBL11495983 | 0.72 | MMP1 (0.36) | — | |
| Acetic Acid SCHEMBL19643482 | 0.72 | MMP1 (0.36) | — | |
| SCHEMBL23882 | 0.71 | — | — | |
| SCHEMBL9155588 | 0.71 | MMP1 (0.43) | — | |
| SCHEMBL350124 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7064218-B2 | Aromatic compounds and poly(oxyalkylene) containing aromatic compounds possessing antibacterial, antifungal or antitumor activity | GENELABS TECHNOLOGIES, INC. (US) | 2006-06-20 | — | — | US | disclosed |
| US-20030212113-A1 | Novel aromatic compounds and poly(oxyalkylene) containing aromatic compounds possessing antibacterial, antifungal or antitumor activity | GLAXOSMITHKLINE LLC | 2003-11-13 | — | — | US | disclosed |