⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3594146 | 0.82 | MAPT (0.32) | — | |
| SCHEMBL3589856 | 0.73 | DUT (0.36) | — | |
| SCHEMBL3589854 | 0.70 | — | — | |
| SCHEMBL3592110 | 0.68 | ALDH1A1 (0.34) | — | |
| SCHEMBL3600672 | 0.67 | TRPV1 (0.42) | — | |
| SCHEMBL22684830 | 0.65 | SMN1; SMN2 (0.41) | — | |
| SCHEMBL8836153 | 0.65 | APLNR (0.34) | — | |
| SCHEMBL26484788 | 0.65 | SMN1; SMN2 (0.44) | — | |
| SCHEMBL11134070 | 0.63 | — | — | |
| SCHEMBL3589860 | 0.63 | SIGMAR1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100016285-A1 | HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE | MOCHIDA PHARMACEUTICAL CO., LTD. (JP) | 2010-01-21 | — | — | US | disclosed |
| EP-2128157-A1 | HETEROCYCLIDENE-N-(ARYL)ACETAMIDE DERIVATIVE | MOCHIDA PHARMACEUTICAL CO., LTD. (JP) | 2009-12-02 | — | — | EP | disclosed |