⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5507051 | 0.78 | CYP2C19 (0.40) | — | |
| SCHEMBL4383438 | 0.74 | HRH3 (0.35) | — | |
| SCHEMBL4384528 | 0.71 | L3MBTL3 (0.36) | — | |
| SCHEMBL4389661 | 0.57 | HRH3 (0.36) | — | |
| SCHEMBL6186091 | 0.54 | KDM4E (0.52) | — | |
| SCHEMBL3133855 | 0.54 | ALDH1A1 (0.35) | — | |
| SCHEMBL7744520 | 0.54 | KDM4E (0.43) | — | |
| SCHEMBL3133838 | 0.54 | ALDH1A1 (0.35) | — | |
| Improsulfan SCHEMBL27654142 | 0.53 | TSHR (0.61) | — | |
| SCHEMBL7036057 | 0.53 | ATM (0.55) | — |
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-20090181948-A1 | DIAMINE DERIVATIVE | KYOWA HAKKO KOGYO CO., LTD. (JP) | 2009-07-16 | — | — | US | disclosed |
| EP-1847530-A1 | DIAMINE DERIVATIVE | KYOWA HAKKO KOGYO CO., LTD. (JP) | 2007-10-24 | — | — | EP | disclosed |