⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7498312 | 1.00 | — | — | |
| SCHEMBL6178032 | 1.00 | — | — | |
| SCHEMBL34926 | 0.97 | — | — | |
| SCHEMBL9143 | 0.88 | — | — | |
| SCHEMBL3315 | 0.74 | — | — | |
| SCHEMBL11294683 | 0.72 | — | — | |
| SCHEMBL1162932 | 0.69 | — | — | |
| SCHEMBL4362788 | 0.65 | HDAC3 (0.31) | — | |
| SCHEMBL3628921 | 0.65 | HDAC3 (0.31) | — | |
| SCHEMBL3629251 | 0.65 | HDAC3 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6589949-B1 | Methods for production thereof and use thereof in the production of medicaments for the prophylaxis and/or treatment of diseases of the central nervous system, in particular, cognitive disorders, such as Alzheimer's disease and other | BAYER AKTIENGESELLSCHAFT (DE) | 2003-07-08 | — | — | US | disclosed |
| EP-1242394-A1 | NOVEL 3-OXO-2,1-BENZISOXAZOL-1(3H)-CARBOXAMIDES FOR TREATMENT OF CNS DISEASES | Bayer Aktiengesellschaft (DE) | 2002-09-25 | — | — | EP | disclosed |
| US-6344471-B1 | DIISOPROPYL FLUOROPHOSPHATE (DFP), TREATMENT OF COGNITIVE DISORDERS, DEPRESSION, SCHIZOPHRENIA AND ANXIETY. | BAYER AKTIENGESELLSCHAFT (DE) | 2002-02-05 | — | — | US | disclosed |
| WO-2001044211-A1 | NOVEL 3-OXO-2,1-BENZISOXAZOL-1(3H)-CARBOXAMIDES FOR TREATMENT OF CNS DISEASES | BAYER AKTIENGESELLSCHAFT (DE) | 2001-06-21 | — | — | WO | disclosed |