⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14256447 | 0.77 | — | — | |
| SCHEMBL17833972 | 0.76 | — | — | |
| SCHEMBL16543884 | 0.70 | HDAC1 (0.51) | — | |
| SCHEMBL6895559 | 0.69 | — | — | |
| SCHEMBL20734016 | 0.67 | — | — | |
| SCHEMBL23894741 | 0.67 | GSK3A (0.38) | — | |
| SCHEMBL7945735 | 0.67 | — | — | |
| SCHEMBL22728275 | 0.66 | GAA (0.53) | — | |
| SCHEMBL15624029 | 0.65 | — | — | |
| SCHEMBL10765843 | 0.65 | — | — |
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-9422246-B2 | Benzylidene azolidine derivative or salt thereof | ROHTO PHARMACEUTICAL CO., LTD. (JP) | 2016-08-23 | — | — | US | disclosed |
| US-20150065728-A1 | NOVEL BENZYLIDENE AZOLIDINE DERIVATIVE OR SALT THEREOF | ROHTO PHARMACEUTICAL CO., LTD. (JP) | 2015-03-05 | — | — | US | disclosed |