⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17835254 | 1.00 | — | — | |
| SCHEMBL5543698 | 1.00 | — | — | |
| SCHEMBL16421826 | 0.87 | BRD4 (0.37) | — | |
| SCHEMBL24050561 | 0.84 | KMT2A (0.36) | — | |
| SCHEMBL10772975 | 0.83 | PTGER4 (0.38) | — | |
| SCHEMBL1712727 | 0.82 | — | — | |
| SCHEMBL3507512 | 0.80 | — | — | |
| SCHEMBL22771425 | 0.80 | — | — | |
| SCHEMBL1712730 | 0.80 | — | — | |
| SCHEMBL5676355 | 0.80 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160168090-A1 | NOVEL INDOLE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES | MERCK PATENT GMBH (DE) | 2016-06-16 | — | — | US | disclosed |
| US-8017779-B2 | Nitrogen containing heterocyclyl substituted imidazoquinolines and imidazonaphthyridines | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2011-09-13 | — | — | US | disclosed |
| US-8017779-B2 | Nitrogen containing heterocyclyl substituted imidazoquinolines and imidazonaphthyridines | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2011-09-13 | — | — | US | disclosed |
| US-20070213356-A1 | Nitrogen-Containing Heterocyclyl Substituted Imidazoquinolines and Imidazonaphthyridines | 3M INNOVATIVE PROPERTIES COMPANY | 2007-09-13 | — | — | US | disclosed |
| US-20070213356-A1 | Nitrogen-Containing Heterocyclyl Substituted Imidazoquinolines and Imidazonaphthyridines | 3M INNOVATIVE PROPERTIES COMPANY | 2007-09-13 | — | — | US | disclosed |