⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20909482 | 0.73 | ALDH1A1 (0.55) | — | |
| SCHEMBL4914132 | 0.73 | LMNA (0.44) | — | |
| SCHEMBL4914343 | 0.72 | — | — | |
| SCHEMBL4919714 | 0.70 | — | — | |
| SCHEMBL6848305 | 0.70 | KDM4E (0.56) | — | |
| SCHEMBL14525955 | 0.70 | HSD17B10 (0.47) | — | |
| SCHEMBL3360258 | 0.70 | ALDH1A1 (0.40) | — | |
| SCHEMBL11755378 | 0.69 | NPSR1 (0.46) | — | |
| SCHEMBL5607056 | 0.69 | NPSR1 (0.46) | — | |
| SCHEMBL11755388 | 0.69 | NPSR1 (0.46) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1854792-B1 | 1-(2H)-ISOQUINOLONE DERIVATIVE | CHUGAI PHARMACEUTICAL CO LTD (JP) | 2012-12-26 | — | — | EP | disclosed |
| CN-101160303-B | 1- (2H) -isoquinolone derivatives | CHUGAI PHARMACEUTICAL CO LTD | 2011-09-28 | — | — | CN | disclosed |
| US-7820693-B2 | 1-(2H)-isoquinolone derivative | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2010-10-26 | — | — | US | disclosed |
| US-20090030195-A1 | 1-(2H)-ISOQUINOLONE DERIVATIVE | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2009-01-29 | — | — | US | disclosed |
| US-20080200475-A1 | 4-Piperazinothieno[2,3-D] Pyrimidine Compounds As Platelet Aggregation Inhibitors | PFIZER INC. | 2008-08-21 | — | — | US | disclosed |
| CN-101160303-A | 1- (2H) -isoquinolone derivatives | CHUGAI PHARMACEUTICAL CO LTD (JP) | 2008-04-09 | — | — | CN | disclosed |
| EP-1866317-A1 | 4-PIPERAZINOTHIENO [2, 3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS | Pharmacia & Upjohn Company LLC (US) | 2007-12-19 | — | — | EP | disclosed |
| EP-1854792-A1 | 1-(2H)-ISOQUINOLONE DERIVATIVE | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2007-11-14 | — | — | EP | disclosed |
| WO-2006103555-A1 | 4-PIPERAZINOTHIENO [2, 3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS | PHARMACIA & UPJOHN COMPANY LLC (US) | 2006-10-05 | — | — | WO | disclosed |