⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15270205 | 0.91 | EPHX1 (0.52) | — | |
| SCHEMBL1440608 | 0.89 | EPHX1 (0.59) | — | |
| SCHEMBL22291007 | 0.86 | ITGB3 (0.47) | — | |
| SCHEMBL3811830 | 0.86 | TDP1 (0.45) | — | |
| SCHEMBL24577535 | 0.82 | NCF1 (0.44) | — | |
| SCHEMBL3420737 | 0.80 | EPHX1 (0.59) | — | |
| SCHEMBL20807437 | 0.78 | TDP1 (0.42) | — | |
| SCHEMBL8396810 | 0.78 | — | — | |
| SCHEMBL14435548 | 0.77 | TDP1 (0.68) | — | |
| SCHEMBL30990308 | 0.77 | ACHE (0.40) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114867525-A | Dihydrocyclopentaisoquinoline derivatives | UCB生物制药有限责任公司 | 2022-08-05 | — | — | CN | claimed |
| CN-114867525-A | Dihydrocyclopentaisoquinoline derivatives | UCB生物制药有限责任公司 | 2022-08-05 | — | — | CN | disclosed |
| CN-101505752-B | Prolyl hydroxylase inhibitors | SMITHKLINE BEECHAM CORP | 2012-12-05 | — | — | CN | disclosed |
| CN-101505752-A | Prolyl hydroxylase inhibitors | SMITHKLINE BEECHAM CORP (US) | 2009-08-12 | — | — | CN | disclosed |
| EP-2037922-A2 | PROLYL HYDROXYLASE INHIBITORS | SmithKline Beecham Corporation (US) | 2009-03-25 | — | — | EP | disclosed |
| WO-2007150011-A2 | PROLYL HYDROXYLASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2007-12-27 | — | — | WO | disclosed |
| CN-1229350-C | New azabicyclooctane derivatives useful in the treatment of cardiac arrhythmias | ASTRAZENECA AB (SE) | 2005-11-30 | — | — | CN | disclosed |