⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9684023 | 0.85 | KDM4E (0.35) | — | |
| SCHEMBL7760492 | 0.84 | — | — | |
| SCHEMBL9437752 | 0.83 | THRA (0.31) | — | |
| SCHEMBL9686026 | 0.81 | LTA4H (0.35) | — | |
| SCHEMBL7761425 | 0.81 | GRIA2 (0.31) | — | |
| Hydrochloric Acid SCHEMBL8871802 | 0.80 | LMNA (0.38) | — | |
| SCHEMBL9686135 | 0.80 | IDH1 (0.38) | — | |
| SCHEMBL8109727 | 0.79 | SIGMAR1 (0.42) | — | |
| SCHEMBL8109679 | 0.78 | MAPT (0.41) | — | |
| SCHEMBL9684037 | 0.78 | S1PR1 (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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1072655-C | New heterocyclic aminomethyl compounds, process for preparing them and pharmaceutical compositions containing them | ADIR (FR) | 2001-10-10 | — | — | CN | disclosed |
| EP-0841330-B1 | Aminomethyl heterocyclic derivatives, process of their preparation and pharmaceutical compositions containing them | ADIR (FR) | 2001-06-27 | — | — | EP | disclosed |
| US-5919784-A | ANXIETY, DEPRESSION | ADIR ET COMPAGNIE (FR) | 1999-07-06 | — | — | US | disclosed |
| CN-1182083-A | New heterocyclic aminomethyl compounds, process for preparing them and pharmaceutical compositions containing them | ADIR (FR) | 1998-05-20 | — | — | CN | 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 |