⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4491895 | 0.69 | KMT2A (0.43) | — | |
| SCHEMBL6282779 | 0.68 | LMNA (0.33) | — | |
| SCHEMBL8586247 | 0.65 | MAOA (0.32) | — | |
| SCHEMBL8588762 | 0.63 | MAOA (0.47) | — | |
| SCHEMBL4983045 | 0.62 | NPSR1 (0.39) | — | |
| SCHEMBL7318312 | 0.61 | — | — | |
| SCHEMBL10569631 | 0.60 | ALDH1A1 (0.45) | — | |
| SCHEMBL22720397 | 0.59 | NOS3 (0.36) | — | |
| SCHEMBL31124584 | 0.59 | NOS3 (0.36) | — | |
| SCHEMBL8117881 | 0.59 | — | — |
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 |