⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17410444 | 0.75 | — | — | |
| SCHEMBL10529738 | 0.65 | APP (0.40) | — | |
| SCHEMBL1038352 | 0.62 | — | — | |
| SCHEMBL12603114 | 0.61 | — | — | |
| SCHEMBL11397800 | 0.60 | — | — | |
| SCHEMBL21192537 | 0.60 | — | — | |
| SCHEMBL21590227 | 0.60 | — | — | |
| SCHEMBL3069301 | 0.59 | MCL1 (0.58) | — | |
| SCHEMBL2635489 | 0.59 | ERCC1 (0.50) | — | |
| SCHEMBL4161870 | 0.59 | ERCC1 (0.50) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0032048-A1 | Pyrroloylpyrrole derivatives, processes for their preparation and their use | BEECHAM GROUP PLC (GB) | 1981-07-15 | — | — | EP | claimed |
| US-20050256159-A1 | 1,4-disubstituted piperidine derivatives and their use as 11,betahsd1 inhibitors | ASTRAZENECA AB (SE) | 2005-11-17 | — | — | US | disclosed |
| EP-1556349-A1 | 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES AND THEIR USE AS 11-BETAHSD1 INHIBITORS | Astrazeneca AB (SE) | 2005-07-27 | — | — | EP | disclosed |
| WO-2004033427-A1 | 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES AND THEIR USE AS 11-BETAHSD1 INHIBITORS | ASTRAZENECA AB (SE) | 2004-04-22 | — | — | WO | disclosed |
| EP-0032048-A1 | Pyrroloylpyrrole derivatives, processes for their preparation and their use | BEECHAM GROUP PLC (GB) | 1981-07-15 | — | — | EP | disclosed |