⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7144536 | 0.74 | KDM4E (0.30) | — | |
| SCHEMBL532652 | 0.67 | HIF1A (0.33) | — | |
| SCHEMBL11211676 | 0.63 | HRH2 (0.32) | — | |
| SCHEMBL7194482 | 0.62 | HIF1A (0.30) | — | |
| SCHEMBL22118798 | 0.62 | YTHDC1 (0.33) | — | |
| SCHEMBL546434 | 0.62 | HTT (0.32) | — | |
| SCHEMBL5139564 | 0.62 | L3MBTL1 (0.39) | — | |
| SCHEMBL3433362 | 0.61 | DYRK1A (0.33) | — | |
| SCHEMBL4563686 | 0.61 | ADORA2A (0.41) | — | |
| SCHEMBL10435358 | 0.61 | ADORA2A (0.38) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1147108-A1 | SUBSTITUTED NITROGEN HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL USE THEREOF | Ustav Experimentalni Botaniky Akademie ved Ceské Republiky (CZ) | 2001-10-24 | — | — | EP | claimed |
| WO-2000043394-A1 | SUBSTITUTED NITROGEN HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL USE THEREOF | ÚSTAV EXPERIMENTÁLNÍ BOTANIKY AV CR (CZ) | 2000-07-27 | — | — | WO | claimed |
| US-20030191086-A1 | Substituted nitrogen heterocyclic derivatives and pharmaceutical use thereof | USTAV EXPERIMENTALNI BOTANIKY AV CR | 2003-10-09 | — | — | US | disclosed |
| US-6552192-B1 | Inhibiting cyclin dependent kinase proteins, viruses, and immunostimulation; antimitotic, antiviral, anticancinogenic, antidegenerative, immunosuppressive | USTAU EXPERIMENTALNI BOTANIKY AV-CR (CZ) | 2003-04-22 | — | — | US | disclosed |
| EP-1147108-A1 | SUBSTITUTED NITROGEN HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL USE THEREOF | Ustav Experimentalni Botaniky Akademie ved Ceské Republiky (CZ) | 2001-10-24 | — | — | EP | disclosed |
| WO-2000043394-A1 | SUBSTITUTED NITROGEN HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL USE THEREOF | ÚSTAV EXPERIMENTÁLNÍ BOTANIKY AV CR (CZ) | 2000-07-27 | — | — | WO | disclosed |