⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6964856 | 0.95 | ALDH1A1 (0.45) | — | |
| SCHEMBL27010141 | 0.88 | — | — | |
| SCHEMBL20012415 | 0.86 | — | — | |
| SCHEMBL27821725 | 0.85 | — | — | |
| SCHEMBL15594565 | 0.83 | — | — | |
| SCHEMBL15723668 | 0.83 | — | — | |
| SCHEMBL13416615 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL637409 | 0.81 | ALDH1A1 (0.46) | — | |
| SCHEMBL13369056 | 0.81 | ALDH1A1 (0.56) | — | |
| SCHEMBL3568495 | 0.81 | ALDH1A1 (0.56) | — |
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-8080565-B2 | Substituted 4-amino-benzylpiperidine compounds | THERAVANCE, INC. (US) | 2011-12-20 | — | — | US | disclosed |
| US-20090023777-A1 | Substituted 4-amino-benzylpiperidine compounds | THERAVANCE BIOPHARMA R&D IP, LLC | 2009-01-22 | — | — | US | disclosed |
| US-7368463-B2 | Substituted 4-amino-1-benzylpiperidine compounds | THERAVANCE, INC. (US) | 2008-05-06 | — | — | US | disclosed |
| US-20050026954-A1 | Muscarinic receptor antagonists; overactive bladder, irritable bowel syndrome, chronic obstructive pulmonary disease, and asthma | THERAVANCE BIOPHARMA R&D IP, LLC | 2005-02-03 | — | — | US | disclosed |