⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12494483 | 1.00 | CYP2C19 (0.39) | — | |
| SCHEMBL28665742 | 0.89 | POLB (0.42) | — | |
| SCHEMBL19346720 | 0.88 | — | — | |
| SCHEMBL27590444 | 0.86 | ALDH1A1 (0.33) | — | |
| SCHEMBL28750893 | 0.86 | ALDH1A1 (0.33) | — | |
| SCHEMBL27608813 | 0.86 | ALDH1A1 (0.33) | — | |
| SCHEMBL12870314 | 0.86 | ALDH1A1 (0.33) | — | |
| SCHEMBL5342543 | 0.82 | CHRNB2 (0.33) | — | |
| SCHEMBL27990152 | 0.80 | — | — | |
| SCHEMBL11076557 | 0.80 | DNTT (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1998003491-A1 | DIPHENYL-CYCLOPROPENES AS SELECTIVE K-AGONISTS | WARNER-LAMBERT COMPANY (US) | 1998-01-29 | — | — | WO | claimed |
| US-8481247-B2 | Resist underlayer film forming composition containing liquid additive | NISSAN CHEMICAL INDUSTRIES, LTD. | 2013-07-09 | — | — | US | disclosed |
| US-20080103746-A1 | Systems and methods for pathogen detection and response | SEARETE LLC, A LIMITED LIABILITY CORPORATION | 2008-05-01 | — | — | US | disclosed |