⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2080550 | 0.75 | — | — | |
| SCHEMBL5619550 | 0.75 | — | — | |
| SCHEMBL7709487 | 0.75 | — | — | |
| SCHEMBL5619548 | 0.75 | — | — | |
| SCHEMBL1000749 | 0.74 | — | — | |
| SCHEMBL7703843 | 0.71 | — | — | |
| SCHEMBL5868675 | 0.71 | DPP4 (0.33) | — | |
| Hydrochloric Acid SCHEMBL1085949 | 0.71 | — | — | |
| SCHEMBL5803634 | 0.70 | — | — | |
| SCHEMBL3195777 | 0.70 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0900793-B1 | CYCLOALKYLAMINOMETHYLPYRROLIDINE DERIVATIVES | DAIICHI SEIYAKU CO (JP) | 2002-07-24 | — | — | EP | disclosed |
| US-6194434-B1 | MICROBIOCIDES | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2001-02-27 | — | — | US | disclosed |
| EP-0900793-A1 | CYCLOALKYLAMINOMETHYLPYRROLIDINE DERIVATIVES | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 1999-03-10 | — | — | EP | disclosed |