⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10481362 | 0.78 | ATM (0.38) | — | |
| SCHEMBL7350162 | 0.76 | PARP1 (0.35) | — | |
| SCHEMBL231890 | 0.75 | IDO1 (0.44) | — | |
| SCHEMBL2406500 | 0.71 | ALDH1A1 (0.39) | — | |
| SCHEMBL30255446 | 0.71 | ALDH1A1 (0.39) | — | |
| SCHEMBL1871722 | 0.71 | PARP1 (0.35) | — | |
| SCHEMBL1771262 | 0.70 | ANPEP (0.37) | — | |
| SCHEMBL4345108 | 0.69 | ALDH1A1 (0.40) | — | |
| SCHEMBL6682761 | 0.68 | HTR2A (0.39) | — | |
| SCHEMBL30262472 | 0.67 | LMNA (0.39) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0841330-B1 | Aminomethyl heterocyclic derivatives, process of their preparation and pharmaceutical compositions containing them | ADIR (FR) | 2001-06-27 | — | — | EP | disclosed |
| EP-0841330-A1 | Aminomethyl heterocyclic derivatives, process of their preparation and pharmaceutical compositions containing them | ADIR ET COMPAGNIE (FR) | 1998-05-13 | — | — | EP | disclosed |
| EP-0478446-B1 | Heterocyclic alkylamines, process for their preparation and pharmaceutical compositions containing them | ADIR (FR) | 1997-11-19 | — | — | EP | disclosed |
| EP-0478446-A1 | Heterocyclic alkylamines, process for their preparation and pharmaceutical compositions containing them | ADIR ET COMPAGNIE (FR) | 1992-04-01 | — | — | EP | disclosed |