⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5476090 | 0.94 | — | — | |
| SCHEMBL5476094 | 0.88 | KIF11 (0.31) | — | |
| SCHEMBL5477929 | 0.77 | — | — | |
| SCHEMBL8409901 | 0.76 | MAPT (0.36) | — | |
| SCHEMBL5478468 | 0.69 | CYP3A4 (0.39) | — | |
| SCHEMBL5480328 | 0.69 | APP (0.38) | — | |
| SCHEMBL5703630 | 0.69 | NPC1 (0.33) | — | |
| SCHEMBL5478470 | 0.68 | TDP1 (0.47) | — | |
| SCHEMBL5478487 | 0.68 | TDP1 (0.38) | — | |
| SCHEMBL5477932 | 0.68 | APP (0.38) | — |
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-20070032556-A1 | Aromatic polyamine derivative | DAICEL CHEMICAL INSUSTRIES, LTD. (JP) | 2007-02-08 | — | — | US | disclosed |
| EP-1681284-A1 | AROMATIC POLYAMINE DERIVATIVE | Daicel Chemical Industries, Ltd. (JP) | 2006-07-19 | — | — | EP | disclosed |