⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6192019 | 0.72 | — | — | |
| SCHEMBL6192023 | 0.71 | ITGA2B (0.33) | — | |
| SCHEMBL7280300 | 0.69 | ADRA2A (0.35) | — | |
| SCHEMBL5996258 | 0.66 | SLC6A2 (0.45) | — | |
| SCHEMBL4338880 | 0.65 | NPC1 (0.38) | — | |
| SCHEMBL5965220 | 0.65 | NPC1 (0.38) | — | |
| SCHEMBL5995989 | 0.65 | SLC6A2 (0.44) | — | |
| SCHEMBL5995472 | 0.64 | SLC6A2 (0.34) | — | |
| SCHEMBL5996081 | 0.64 | CHRNB2 (0.34) | — | |
| SCHEMBL5993827 | 0.63 | TDP1 (0.32) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7026321-B2 | Substituted heterocyclic compounds | CV THERAPEUTICS, INC. (US) | 2006-04-11 | — | — | US | disclosed |
| US-20040186109-A1 | piperazine derivatives, e.g., (2R)-1-(2-methylbenzothiazol-5-yloxy)-3-[4-({5-[4-(trifluoromethyl)phenyl](4,5-dihydroisoxazol-3-yl)}methyl)piperazinyl]propan-2-ol; treating diabetes, arrhythmia, intermittent claudication, angina, congestive heart disease, and myocardial infarction | CV THERAPEUTICS, INC. | 2004-09-23 | — | — | US | disclosed |