⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2654809 | 0.92 | — | — | |
| SCHEMBL16182238 | 0.80 | — | — | |
| SCHEMBL952042 | 0.79 | — | — | |
| SCHEMBL5320056 | 0.78 | ALDH1A1 (0.52) | — | |
| SCHEMBL14216522 | 0.77 | — | — | |
| SCHEMBL1145648 | 0.77 | — | — | |
| SCHEMBL1145670 | 0.77 | CXCR3 (0.46) | — | |
| SCHEMBL2513477 | 0.76 | ALDH1A1 (0.52) | — | |
| SCHEMBL9419038 | 0.76 | ALDH1A1 (0.50) | — | |
| SCHEMBL8381260 | 0.76 | ALDH1A1 (0.52) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017060459-A1 | DENTAL COMPOSITION | DENTSPLY DETREY GMBH (DE) | 2017-04-13 | — | — | WO | disclosed |
| WO-2017017043-A1 | NOVEL 6,7-DIHYDROPYRIDO[2,1-A]PHTHALAZIN-2-ONES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION | F. HOFFMANN-LA ROCHE AG (CH) | 2017-02-02 | — | — | WO | disclosed |
| WO-2014152134-A1 | TRIPEPTIDE EPOXY KETONE PROTEASE INHIBITORS | ONYX THERAPEUTICS, INC. (US) | 2014-09-25 | — | — | WO | disclosed |
| EP-1960402-B1 | NOVEL IMIDAZOQUINAZOLINE DERIVATIVE, PROCESS FOR PREPARING THE SAME, AND ORGANIC ELECTRONIC DEVICE USING THE SAME | LG CHEMICAL LTD (KR) | 2013-03-13 | — | — | EP | disclosed |
| EP-2455382-A1 | Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors | Incyte Corporation (US) | 2012-05-23 | — | — | EP | disclosed |
| EP-2348023-A1 | Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors | Incyte Corporation (US) | 2011-07-27 | — | — | EP | disclosed |
| EP-2343298-A1 | Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors | Incyte Corporation (US) | 2011-07-13 | — | — | EP | disclosed |
| EP-2343299-A1 | Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors | Incyte Corporation (US) | 2011-07-13 | — | — | EP | disclosed |