⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3431727 | 0.85 | TDP1 (0.33) | — | |
| SCHEMBL4134092 | 0.77 | TDP1 (0.53) | — | |
| SCHEMBL14661031 | 0.77 | TDP1 (0.53) | — | |
| SCHEMBL14661288 | 0.77 | TDP1 (0.53) | — | |
| SCHEMBL28839149 | 0.77 | TDP1 (0.53) | — | |
| SCHEMBL9775304 | 0.77 | TDP1 (0.49) | — | |
| SCHEMBL6055076 | 0.76 | TDP1 (0.31) | — | |
| SCHEMBL5274910 | 0.74 | TSHR (0.33) | — | |
| SCHEMBL755228 | 0.73 | TSHR (0.42) | — | |
| SCHEMBL10510379 | 0.73 | TDP1 (0.33) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230087342-A1 | AZEPANE DERIVATIVE | NIPPON CHEMIPHAR CO., LTD. (JP) | 2023-03-23 | — | — | US | disclosed |
| WO-2021065898-A1 | AZEPAN DERIVATIVE | 日本ケミファ株式会社 | 2021-04-08 | — | — | WO | disclosed |
| EP-2655372-B1 | PYRROLOQUINOLINYL-PYRROLIDINE-2,5-DIONE COMPOSITIONS AND METHODS FOR PREPARING AND USING SAME | ARQULE INC (US) | 2016-03-16 | — | — | EP | disclosed |
| EP-2655372-A2 | PYRROLOQUINOLINYL-PYRROLIDINE-2,5-DIONE COMPOSITIONS AND METHODS FOR PREPARING AND USING SAME | ArQule, Inc. (US) | 2013-10-30 | — | — | EP | disclosed |
| US-8470786-B2 | Pyrroloquinolinyl-pyrrolidine-2,5-dione compositions and methods for preparing and using same | ARQULE, INC. (US) | 2013-06-25 | — | — | US | disclosed |
| US-20120165278-A1 | Pyrroloquinolinyl-Pyrrolidine-2,5-Dione Compositions And Methods For Preparing And Using Same | ARQULE, INC. (US) | 2012-06-28 | — | — | US | disclosed |
| WO-2012088491-A2 | PYRROLOQUINOLINYL-PYRROLIDINE-2,5-DIONE COMPOSITIONS AND METHODS FOR PREPARING AND USING SAME | ARQULE, INC. (US) | 2012-06-28 | — | — | WO | disclosed |