⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL333034 | 1.00 | — | — | |
| SCHEMBL333033 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL7049906 | 0.98 | CYP1A2 (0.42) | — | |
| Hydrochloric Acid SCHEMBL7049907 | 0.98 | CYP1A2 (0.42) | — | |
| SCHEMBL332881 | 0.86 | CYP1A2 (0.41) | — | |
| SCHEMBL7045558 | 0.86 | CYP1A2 (0.41) | — | |
| SCHEMBL332882 | 0.86 | CYP1A2 (0.41) | — | |
| SCHEMBL7045966 | 0.84 | ADH1B (0.44) | — | |
| Hydrochloric Acid SCHEMBL8052095 | 0.84 | CYP1A2 (0.40) | — | |
| Hydrochloric Acid SCHEMBL8052098 | 0.84 | CYP1A2 (0.40) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0996612-B1 | ALIPHATIC PROPARGYLAMINES AS CELLULAR RESCUE AGENTS | UNIV SASKATCHEWAN (CA) | 2003-04-09 | — | — | EP | claimed |
| EP-0996612-A2 | ALIPHATIC PROPARGYLAMINES AS CELLULAR RESCUE AGENTS | University of Saskatchewan Technologies Inc. (CA) | 2000-05-03 | — | — | EP | claimed |
| WO-1999003817-B1 | ALIPHATIC PROPARGYLAMINES AS CELLULAR RESCUE AGENTS | UNIV SASKATCHEWAN (CA) | 1999-07-01 | — | — | WO | claimed |
| WO-1999003817-A2 | ALIPHATIC PROPARGYLAMINES AS CELLULAR RESCUE AGENTS | UNIVERSITY OF SASKATCHEWAN TECHNOLOGIES INC. (CA) | 1999-01-28 | — | — | WO | claimed |
| EP-0996612-B1 | ALIPHATIC PROPARGYLAMINES AS CELLULAR RESCUE AGENTS | UNIV SASKATCHEWAN (CA) | 2003-04-09 | — | — | EP | disclosed |
| EP-0996612-A2 | ALIPHATIC PROPARGYLAMINES AS CELLULAR RESCUE AGENTS | University of Saskatchewan Technologies Inc. (CA) | 2000-05-03 | — | — | EP | disclosed |
| WO-1999003817-A2 | ALIPHATIC PROPARGYLAMINES AS CELLULAR RESCUE AGENTS | UNIVERSITY OF SASKATCHEWAN TECHNOLOGIES INC. (CA) | 1999-01-28 | — | — | WO | disclosed |
| US-5840979-A | USEFUL IN THE TREATMENT AND PREVENTION OF DISEASES IN WHICH CELL DEATH OCCURS BY APOPTOSIS | UNIVERSITY OF SASKATCHEWAN (CA) | 1998-11-24 | — | — | US | disclosed |