⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2545454 | 1.00 | — | — | |
| SCHEMBL6903897 | 0.93 | — | — | |
| SCHEMBL15594561 | 0.93 | — | — | |
| SCHEMBL8535020 | 0.82 | — | — | |
| SCHEMBL5429454 | 0.80 | CYP2D6 (0.39) | — | |
| SCHEMBL6416529 | 0.77 | — | — | |
| Tert-Butyl Formate SCHEMBL27822453 | 0.77 | TDP1 (0.41) | — | |
| SCHEMBL7155220 | 0.76 | — | — | |
| SCHEMBL7158350 | 0.76 | — | — | |
| SCHEMBL1479655 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-102427726-B | fused ring inhibitors of hepatitis c | PRESIDIO PHARMACEUTICALS, INC. (US) | 2014-10-08 | — | — | CN | disclosed |
| US-20120040961-A1 | PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DISORDERS | DANA-FARBER CANCER INSTITUTE (US) | 2012-02-16 | — | — | US | disclosed |
| EP-2242757-A1 | PYRAZOLOPYRIDINES AS KINASE INHIBITORS | Array Biopharma, Inc. (US) | 2010-10-27 | — | — | EP | disclosed |
| WO-2009089359-A1 | PYRAZOLOPYRIDINES AS KINASE INHIBITORS | ARRAY BIOPHARMA INC. (US) | 2009-07-16 | — | — | WO | disclosed |
| WO-2009038411-A2 | BETA-SECRETASE INHIBITING COMPOUNDS HAVING OXO-DIHYDRO-PYRAZOLE MOIETY | LG LIFE SCIENCES, LTD. (KR) | 2009-03-26 | — | — | WO | disclosed |