⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7817089 | 0.80 | ALDH1A1 (0.48) | — | |
| SCHEMBL4444589 | 0.78 | — | — | |
| Ammonia Solution, Strong SCHEMBL28082774 | 0.76 | ALDH1A1 (0.43) | — | |
| SCHEMBL28082703 | 0.76 | ALDH1A1 (0.43) | — | |
| SCHEMBL27767615 | 0.76 | — | — | |
| SCHEMBL28083147 | 0.76 | ALDH1A1 (0.43) | — | |
| SCHEMBL28082655 | 0.76 | ALDH1A1 (0.43) | — | |
| SCHEMBL28082894 | 0.76 | ALDH1A1 (0.43) | — | |
| SCHEMBL28082329 | 0.76 | ALDH1A1 (0.43) | — | |
| Ethyl Acetate SCHEMBL16906695 | 0.76 | ALDH1A1 (0.74) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102159557-A | Piperazine d3 and 5-ht2a receptor modulators | HOFFMANN LA ROCHE | 2011-08-17 | — | — | CN | disclosed |
| CN-101945874-A | 3-substituted-4-oxo-3, 4-dihydro-imidazo [5,1-d ] [1,2,3,5] -tetrazine-8-carboxamides as anticancer agents | PHARMINOX LTD | 2011-01-12 | — | — | CN | disclosed |
| US-7619092-B2 | Piperidine compounds | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2009-11-17 | — | — | US | disclosed |
| US-7619092-B2 | Piperidine compounds | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2009-11-17 | — | — | US | disclosed |
| US-7585919-B2 | Polymer derived from monomers with long-chain aliphatic, poly(oxyalkylene) and substrate-reactive groups | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2009-09-08 | — | — | US | disclosed |
| US-20080075960-A1 | CURABLE COMPOSITIONS AND BIOFILM-RESISTANT COATINGS THEREFROM | 3M INNOVATIVE PROPERTIES COMPANY | 2008-03-27 | — | — | US | disclosed |