⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11401370 | 0.67 | ALOX5 (0.38) | — | |
| SCHEMBL12498818 | 0.65 | — | — | |
| SCHEMBL28486034 | 0.65 | ALDH1A1 (0.50) | — | |
| SCHEMBL6423951 | 0.65 | HTR2C (0.32) | — | |
| SCHEMBL15513560 | 0.64 | — | — | |
| SCHEMBL16667080 | 0.64 | CYP1A2 (0.32) | — | |
| SCHEMBL28290847 | 0.64 | ADRB2 (0.53) | — | |
| SCHEMBL28407973 | 0.63 | — | — | |
| SCHEMBL2045230 | 0.62 | ALOX5 (0.50) | — | |
| SCHEMBL7676659 | 0.61 | ALOX15 (0.36) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1326865-B1 | AZA- AND POLYAZA-NAPHTHALENYL CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS | MERCK & CO INC (US) | 2009-05-06 | — | — | EP | claimed |