⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3058658 | 1.00 | — | — | |
| SCHEMBL20436909 | 1.00 | — | — | |
| SCHEMBL22901314 | 1.00 | — | — | |
| Methane SCHEMBL27613756 | 0.98 | LMNA (0.41) | — | |
| Ethane SCHEMBL691194 | 0.98 | LMNA (0.41) | — | |
| SCHEMBL16903314 | 0.88 | LMNA (0.41) | — | |
| SCHEMBL24477583 | 0.80 | GPR119 (0.36) | — | |
| SCHEMBL16903316 | 0.80 | GPR119 (0.36) | — | |
| Citric Acid SCHEMBL27688487 | 0.77 | ALDH1A1 (0.44) | — | |
| SCHEMBL10233235 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7999102-B2 | Cross-linked cyclic amine compounds and agents for pest control | NIPPON SODA CO., LTD. (JP) | 2011-08-16 | — | — | US | disclosed |
| WO-2010068881-A1 | NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS | FOREST LABORATORIES HOLDINGS LIMITED (BM) | 2010-06-17 | — | — | WO | disclosed |
| US-20090318694-A1 | Cross-Linked Amine Compounds and Agents for Pest Control | NIPPON SODA CO., LTD. (JP) | 2009-12-24 | — | — | US | disclosed |