⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4185142 | 0.88 | — | — | |
| SCHEMBL14430832 | 0.72 | — | — | |
| SCHEMBL4617602 | 0.72 | CRBN (0.36) | — | |
| SCHEMBL19695102 | 0.70 | — | — | |
| SCHEMBL14570100 | 0.68 | CRBN (0.35) | — | |
| SCHEMBL8877618 | 0.66 | SRD5A1 (0.42) | — | |
| SCHEMBL7595901 | 0.66 | SRD5A1 (0.42) | — | |
| SCHEMBL8876795 | 0.66 | PARP1 (0.47) | — | |
| SCHEMBL9636816 | 0.65 | — | — | |
| SCHEMBL4000205 | 0.65 | OR51E2 (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 |
|---|---|---|---|---|---|---|---|
| US-20090023774-A1 | Pyridine analogs as C5A antagonists | LACHANCE NICOLAS | 2009-01-22 | — | — | US | disclosed |
| US-7429666-B2 | antiinflammatory agents; N-[4-(Dimethylamino)benzyl]-N-(4-isopropylphenyl)-2-methoxy-5,6,7,8-tetrahydroquinoline-8-carboxamide | MERCK FROSST CANADA LTD. (CA) | 2008-09-30 | — | — | US | disclosed |
| US-20050277644-A1 | antiinflammatory agents; N-[4-(Dimethylamino)benzyl]-N-(4-isopropylphenyl)-2-methoxy-5,6,7,8-tetrahydroquinoline-8-carboxamide | MERCK FROSST CANADA LTD. (CA) | 2005-12-15 | — | — | US | disclosed |