⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5089685 | 0.73 | — | — | |
| SCHEMBL27861396 | 0.71 | — | — | |
| SCHEMBL1021273 | 0.71 | — | — | |
| SCHEMBL19423555 | 0.69 | — | — | |
| SCHEMBL29824754 | 0.61 | — | — | |
| SCHEMBL2051934 | 0.61 | — | — | |
| SCHEMBL31018444 | 0.60 | — | — | |
| SCHEMBL2505127 | 0.57 | — | — | |
| SCHEMBL31722845 | 0.57 | MAOA (0.33) | — | |
| SCHEMBL14597553 | 0.57 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2268638-A1 | TETRAHYDRONAPHTHYRIDINES AND AZA DERIVATIVES THEREOF AS HISTAMINE H3 RECEPTOR ANTAGONISTS | Evotec AG (DE) | 2011-01-05 | — | — | EP | claimed |
| WO-2009121812-A1 | TETRAHYDRONAPHTHYRIDINES AND AZA DERIVATIVES THEREOF AS HISTAMINE H3 RECEPTOR ANTAGONISTS | EVOTEC NEUROSCIENCES GMBH (DE) | 2009-10-08 | — | — | WO | claimed |
| EP-2268638-A1 | TETRAHYDRONAPHTHYRIDINES AND AZA DERIVATIVES THEREOF AS HISTAMINE H3 RECEPTOR ANTAGONISTS | Evotec AG (DE) | 2011-01-05 | — | — | EP | disclosed |