⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6770630 | 0.83 | ALDH1A1 (0.32) | — | |
| Propionamide SCHEMBL27574379 | 0.77 | THRB (0.38) | — | |
| SCHEMBL6766277 | 0.77 | HTR1A (0.45) | — | |
| SCHEMBL6766815 | 0.76 | THRB (0.34) | — | |
| SCHEMBL5863723 | 0.75 | THRB (0.46) | — | |
| SCHEMBL6766347 | 0.75 | APEX1 (0.35) | — | |
| Hydrochloric Acid SCHEMBL6777668 | 0.74 | THRB (0.44) | — | |
| SCHEMBL6777664 | 0.73 | PDK2 (0.40) | — | |
| SCHEMBL6766699 | 0.73 | PDK2 (0.40) | — | |
| SCHEMBL6769789 | 0.72 | AKR1C1 (0.35) | — |
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-6821967-B2 | AMINES SUCH AS 9-(4-(4-(BENZOTHIAZOL-2-YL)-PIPERAZIN-1-YL)-BUTYL)-9H-FLUORENE-9-CARBOXYLIC ACID (2,2,2-TRIFLUOROETHYL) AMIDE, USED AS MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN ANTAGONISTS, TO PREVENT ATHEROSCLEROSIS OR HYPERLIPEMIA | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2004-11-23 | — | — | US | disclosed |
| US-20030166637-A1 | Substituted piperazine derivatives, the preparation thereofand their use as medicaments | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2003-09-04 | — | — | US | disclosed |