⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9896337 | 0.86 | — | — | |
| SCHEMBL9896340 | 0.86 | — | — | |
| SCHEMBL14657986 | 0.86 | — | — | |
| SCHEMBL14657987 | 0.86 | — | — | |
| SCHEMBL20679497 | 0.84 | — | — | |
| SCHEMBL20679495 | 0.84 | — | — | |
| SCHEMBL17036873 | 0.84 | — | — | |
| SCHEMBL17036871 | 0.84 | — | — | |
| SCHEMBL2146078 | 0.83 | — | — | |
| SCHEMBL15207178 | 0.83 | — | — |
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-20100093785-A1 | DIAMINE DERIVATIVES | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2010-04-15 | — | — | US | disclosed |
| US-20050119486-A1 | Diamine derivatives | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2005-06-02 | — | — | US | disclosed |