⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL385141 | 1.00 | — | — | |
| SCHEMBL667205 | 1.00 | — | — | |
| SCHEMBL28519539 | 0.84 | — | — | |
| SCHEMBL17627012 | 0.84 | — | — | |
| SCHEMBL555157 | 0.84 | — | — | |
| SCHEMBL3369529 | 0.82 | — | — | |
| SCHEMBL229652 | 0.81 | — | — | |
| SCHEMBL6600862 | 0.80 | — | — | |
| SCHEMBL468282 | 0.73 | — | — | |
| SCHEMBL471704 | 0.73 | — | — |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20060205697-A1 | Novel betulin derivatives, preparation thereof and use thereof | MYREXIS, INC. | 2006-09-14 | — | — | US | claimed |
| US-11390604-B2 | Imidazole-pyrazole derivatives | HOFFMANN-LA ROCHE INC. (US) | 2022-07-19 | — | — | US | disclosed |
| CN-113924292-A | Antimicrobial compounds and methods | 库扎环球有限责任公司 | 2022-01-11 | — | — | CN | disclosed |
| CN-113613722-A | Novel imidazole-pyrazole derivatives | 豪夫迈·罗氏有限公司 | 2021-11-05 | — | — | CN | disclosed |
| US-20200290998-A1 | NOVEL IMIDAZOLE-PYRAZOLE DERIVATIVES | HOFFMANN-LA ROCHE INC. (US) | 2020-09-17 | — | — | US | disclosed |
| US-9505800-B2 | Extended triterpene derivatives | MYREXIS, INC. (US) | 2016-11-29 | — | — | US | disclosed |
| EP-2007733-B1 | AMIDE SUBSTITUTED INDAZOLE AND BENZOTRIAZOLE DERIVATIVES AS POLY(ADP-RIBOSE)POLYMERASE (PARP) INHIBITORS | MSD ITALIA SRL (IT) | 2016-05-25 | — | — | EP | disclosed |
| US-20120046291-A1 | Extended Triterpene Derivatives | MYREXIS, INC. | 2012-02-23 | — | — | US | disclosed |
| US-20110201657-A1 | AMIDE SUBSTITUTED INDAZOLE AND BENZOTRIAZOLE DERIVATIVES AS POLY(ADP-RIBOSE)POLYMERASE (PARP) INHIBITORS | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) | 2011-08-18 | — | — | US | disclosed |
| US-20090275619-A1 | Amide Substituted Indazole and Benzotriazole Derivatives as Poly(ADP-Ribose)Polymerase (PARP) Inhibitors | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) | 2009-11-05 | — | — | US | disclosed |
| US-7504432-B2 | Ester derivatives | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2009-03-17 | — | — | US | disclosed |
| WO-2008124582-A1 | RENIN INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2008-10-16 | — | — | WO | disclosed |
| US-20070129397-A1 | Ester derivatives | MSD K.K. (JP) | 2007-06-07 | — | — | US | disclosed |
| US-7192969-B2 | Ester derivatives | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2007-03-20 | — | — | US | disclosed |
| US-20060205697-A1 | Novel betulin derivatives, preparation thereof and use thereof | MYREXIS, INC. | 2006-09-14 | — | — | US | disclosed |
| US-20050065211-A1 | Ester derivatives | MSD K.K. (JP) | 2005-03-24 | — | — | US | disclosed |
| EP-1302458-A1 | ESTER DERIVATIVES | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2003-04-16 | — | — | EP | disclosed |