⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL122917 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL11551989 | 0.94 | — | — | |
| SCHEMBL28053369 | 0.94 | — | — | |
| Ammonia Solution, Strong SCHEMBL2191739 | 0.94 | — | — | |
| Bicarbonate SCHEMBL9246578 | 0.84 | GABRR1 (0.46) | — | |
| SCHEMBL19257448 | 0.80 | CA12 (0.58) | — | |
| SCHEMBL19257457 | 0.80 | CA12 (0.58) | — | |
| SCHEMBL4918920 | 0.80 | CA12 (0.58) | — | |
| SCHEMBL4908680 | 0.80 | CA12 (0.58) | — | |
| SCHEMBL757066 | 0.80 | CA12 (0.58) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9206193-B2 | Substituted norindenoisoquinolines, syntheses thereof, and methods of use | PURDUE RESEARCH FOUNDATION (US) | 2015-12-08 | — | — | US | disclosed |
| EP-2528440-A1 | SUBSTITUTED NORINDENOISOQUINOLINES, SYNTHESES THEREOF, AND METHODS OF USE | Purdue Research Foundation (US) | 2012-12-05 | — | — | EP | disclosed |
| US-20120302563-A1 | SUBSTITUTED NORINDENOISOQUINOLINES, SYNTHESES THEREOF, AND METHODS OF USE | PURDUE RESEARCH FOUNDATION (US) | 2012-11-29 | — | — | US | disclosed |
| WO-2011094416-A1 | SUBSTITUTED NORINDENOISOQUINOLINES, SYNTHESES THEREOF, AND METHODS OF USE | PURDUE RESEARCH FOUNDATION (US) | 2011-08-04 | — | — | WO | disclosed |