⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28027065 | 0.80 | GAA (0.36) | — | |
| SCHEMBL27770362 | 0.73 | APOBEC3G (0.37) | — | |
| SCHEMBL27770365 | 0.71 | ALDH1A1 (0.35) | — | |
| SCHEMBL27909622 | 0.71 | TP53 (0.41) | — | |
| SCHEMBL27770358 | 0.68 | PDE4A (0.32) | — | |
| SCHEMBL21026367 | 0.65 | GAA (0.37) | — | |
| SCHEMBL27480023 | 0.63 | CYP1A2 (0.36) | — | |
| SCHEMBL165618 | 0.63 | APOBEC3G (0.44) | — | |
| Water SCHEMBL2512796 | 0.62 | APOBEC3G (0.43) | — | |
| SCHEMBL27561988 | 0.56 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-103370309-A | Substituted N-phenethyltriazoloneacetamides and use thereof | BAYER IP GMBH | 2013-10-23 | — | — | CN | disclosed |
| CN-103189363-A | Biaryl linked aryl triazolones and uses thereof | BAYER IP GMBH | 2013-07-03 | — | — | CN | disclosed |