⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL99514 | 1.00 | — | — | |
| SCHEMBL16817199 | 1.00 | — | — | |
| SCHEMBL14941537 | 0.95 | — | — | |
| SCHEMBL14973477 | 0.89 | ALDH1A1 (0.50) | — | |
| Dimethylamine SCHEMBL8463018 | 0.87 | ALDH1A1 (0.39) | — | |
| SCHEMBL17762768 | 0.80 | — | — | |
| SCHEMBL10296866 | 0.80 | — | — | |
| SCHEMBL19725375 | 0.80 | — | — | |
| SCHEMBL429256 | 0.80 | — | — | |
| SCHEMBL14391627 | 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-8629268-B2 | Cyclisation process of forming a multiple ring compound | NANYANG TECHNOLOGICAL UNIVERSITY (SG) | 2014-01-14 | — | — | US | disclosed |
| US-20130046090-A1 | CYCLISATION PROCESS OF FORMING A MULTIPLE RING COMPOUND | NANYANG TECHNOLOGICAL UNIVERSITY (SG) | 2013-02-21 | — | — | US | disclosed |
| US-8227645-B2 | Cyclisation process of forming a multiple ring compound | NANYANG TECHNOLOGICAL UNIVERSITY (SG) | 2012-07-24 | — | — | US | disclosed |
| US-20100228058-A1 | CYCLISATION PROCESS OF FORMING A MULTIPLE RING COMPOUND | NANYANG TECHNOLOGICAL UNIVERSITY (SG) | 2010-09-09 | — | — | US | disclosed |
| WO-2007097719-A1 | CYCLISATION PROCESS OF FORMING A MULTIPLE RING COMPOUND | NANYANG TECHNOLOGICAL UNIVERSITY (SG) | 2007-08-30 | — | — | WO | disclosed |