⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6360879 | 0.83 | CYP1A2 (0.32) | — | |
| SCHEMBL8562751 | 0.82 | ALDH1A1 (0.33) | — | |
| SCHEMBL11823134 | 0.80 | ALDH1A1 (0.36) | — | |
| SCHEMBL11823764 | 0.80 | ALDH1A1 (0.36) | — | |
| SCHEMBL23034336 | 0.80 | ALDH1A1 (0.36) | — | |
| Bromide SCHEMBL28717958 | 0.80 | MEN1 (0.31) | — | |
| SCHEMBL5664403 | 0.79 | — | — | |
| SCHEMBL11351205 | 0.78 | — | — | |
| SCHEMBL11096614 | 0.78 | — | — | |
| SCHEMBL29393540 | 0.77 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040082556-A1 | Inhibitors of type 5 and type 3 17beta-hydroxysteroid dehydrogenase and methods for their use | ENDORECHERCHE, INC. | 2004-04-29 | — | — | US | disclosed |
| EP-1321146-A2 | Inhibitors of type 5 and 3 17beta-hydroxysteroid dehydrogenase and methods for their use | Endorecherche Inc. (CA) | 2003-06-25 | — | — | EP | disclosed |
| US-6541463-B1 | 17-spirolactone derivatives of steroids | ENDORECHERCHE, INC. (CA) | 2003-04-01 | — | — | US | disclosed |
| EP-1102582-A2 | INHIBITORS OF TYPE 3 3ALPHA-HYDROXYSTEROID DEHYDROGENASE | Endorecherche Inc. (CA) | 2001-05-30 | — | — | EP | disclosed |
| EP-1094798-A2 | INHIBITORS OF TYPE 5 AND TYPE 3 17beta-HYDROXYSTEROID DEHYDROGENASE AND METHODS FOR THEIR USE | Endorecherche Inc. (CA) | 2001-05-02 | — | — | EP | disclosed |
| WO-2000007576-A2 | INHIBITORS OF TYPE 3 3α-HYDROSTEROID DEHYDROGENASE | ENDORECHERCHE, INC. (CA) | 2000-02-17 | — | — | WO | disclosed |
| WO-1999046279-A2 | INHIBITORS OF TYPE 5 AND TYPE 3 17β-HYDROXYSTEROID DEHYDROGENASE AND METHODS FOR THEIR USE | ENDORECHERCHE, INC. (CA) | 1999-09-16 | — | — | WO | disclosed |
| EP-0636021-B1 | PSYCHOACTIVE PROPARGYLAMINE DERIVATIVES | UNIV MONTREAL (CA) | 1998-08-05 | — | — | EP | disclosed |
| US-5436273-A | Psychoactive propargylamine derivatives used in the treatment of anxiety, psychotic states or aggression | LOWCHOL SCIENTIFIC, INC. (CA) | 1995-07-25 | — | — | US | disclosed |
| EP-0636021-A1 | PSYCHOACTIVE PROPARGYLAMINE DERIVATIVES | UNIVERSITE DE MONTREAL (CA) | 1995-02-01 | — | — | EP | disclosed |
| WO-1993020804-A1 | PSYCHOACTIVE PROPARGYLAMINE DERIVATIVES | UNIVERSITE DE MONTREAL (CA) | 1993-10-28 | — | — | WO | disclosed |