⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6489417 | 0.73 | ELANE (0.41) | — | |
| SCHEMBL6280579 | 0.72 | ELANE (0.37) | — | |
| SCHEMBL5523096 | 0.69 | GABRP (0.41) | — | |
| SCHEMBL5043562 | 0.69 | PSMB8 (0.56) | — | |
| SCHEMBL9304178 | 0.69 | ACHE (0.43) | — | |
| SCHEMBL6281613 | 0.69 | KDM4E (0.38) | — | |
| SCHEMBL1121340 | 0.69 | CYP2A6 (0.45) | — | |
| SCHEMBL6275934 | 0.67 | MTNR1A (0.38) | — | |
| SCHEMBL4986449 | 0.67 | PRSS1 (0.35) | — | |
| SCHEMBL9306722 | 0.66 | ALDH1A1 (0.44) | — |
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-6969711-B2 | Cyclic diamine compounds and medicine containing the same | KOWA COMPANY, LTD. (JP) | 2005-11-29 | — | — | US | disclosed |
| US-20040038987-A1 | Novel cyclic diamine compounds and medicine containing the same | KOWA COMPANY, LTD. (JP) | 2004-02-26 | — | — | US | disclosed |