⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5402561 | 0.77 | — | — | |
| SCHEMBL8844520 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL8007499 | 0.74 | — | — | |
| SCHEMBL28497219 | 0.67 | — | — | |
| SCHEMBL27530360 | 0.67 | — | — | |
| SCHEMBL10754285 | 0.65 | — | — | |
| SCHEMBL12276924 | 0.57 | — | — | |
| SCHEMBL12527323 | 0.56 | — | — | |
| SCHEMBL189693 | 0.56 | — | — | |
| SCHEMBL48849 | 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 |
|---|---|---|---|---|---|---|---|
| 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 |