⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5422512 | 0.79 | ALDH1A1 (0.46) | — | |
| SCHEMBL647527 | 0.78 | ALDH1A1 (0.40) | — | |
| SCHEMBL6766096 | 0.78 | — | — | |
| SCHEMBL5174795 | 0.77 | IDO1 (0.36) | — | |
| SCHEMBL21380597 | 0.77 | HSPA5 (0.46) | — | |
| SCHEMBL4005028 | 0.74 | — | — | |
| SCHEMBL423675 | 0.72 | — | — | |
| SCHEMBL3114623 | 0.72 | — | — | |
| SCHEMBL427621 | 0.72 | — | — | |
| SCHEMBL15699985 | 0.72 | — | — |
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-2295402-A2 | Antibacterial agents | The University of Washington (US) | 2011-03-16 | — | — | EP | disclosed |
| US-6284365-B1 | FOR CONTROLLING PHYSICAL PROPERTIES OF SURFACE AND INTERFACE OF SOLID ARTICLE SUCH AS WETTABILITY, ADHESIVE PROPERTY, SURFACE ENERGY, DISPERSABILITY, CHEMICAL RESISTANCE | FUJI XEROX CO., LTD. (JP) | 2001-09-04 | — | — | US | disclosed |