⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29054 | 1.00 | — | — | |
| Hydrogen Sulfide SCHEMBL29248841 | 0.97 | — | — | |
| SCHEMBL6830319 | 0.97 | — | — | |
| Ammonia Solution, Strong SCHEMBL28811677 | 0.97 | — | — | |
| SCHEMBL3276946 | 0.97 | — | — | |
| SCHEMBL2975655 | 0.97 | — | — | |
| SCHEMBL497681 | 0.97 | — | — | |
| SCHEMBL8666743 | 0.97 | — | — | |
| Thiophene SCHEMBL8139431 | 0.89 | FBP1 (0.35) | — | |
| SCHEMBL911609 | 0.89 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0740658-B1 | N-SUBSTITUTED AZABICYCLOHEPTANE DERIVATIVES USED, FOR EXAMPLE, AS NEUROLEPTICS | ABBOTT GMBH & CO KG (DE) | 2003-07-02 | — | — | EP | disclosed |
| EP-0731802-B1 | N-SUBSTITUTED AZABICYCLOALKANE DERIVATIVES AS NEUROLEPTICS ETC. | BASF AG (DE) | 2000-07-12 | — | — | EP | disclosed |
| US-5703091-A | N-substituted azabicycloalkane derivatives, their preparation and use | BASF AKTIENGESELLSCHAFT (DE) | 1997-12-30 | — | — | US | disclosed |
| EP-0731802-A1 | N-SUBSTITUTED AZABICYCLOALKANE DERIVATIVES AS NEUROLEPTIKA ASF | BASF AKTIENGESELLSCHAFT (DE) | 1996-09-18 | — | — | EP | disclosed |
| WO-1995015327-A1 | N-SUBSTITUTED AZABICYCLOALKANE DERIVATIVES AS NEUROLEPTIKA ASF | BASF AKTIENGESELLSCHAFT (DE) | 1995-06-08 | — | — | WO | disclosed |