⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17485958 | 1.00 | — | — | |
| SCHEMBL14081821 | 1.00 | — | — | |
| SCHEMBL20857227 | 0.83 | KDM4E (0.60) | — | |
| SCHEMBL3071851 | 0.83 | KDM4E (0.60) | — | |
| SCHEMBL24332037 | 0.82 | KDM4E (0.48) | — | |
| SCHEMBL9150878 | 0.81 | — | — | |
| SCHEMBL21396361 | 0.78 | — | — | |
| SCHEMBL21837345 | 0.75 | — | — | |
| SCHEMBL20066530 | 0.75 | KDM4E (0.41) | — | |
| SCHEMBL21562184 | 0.75 | KDM4E (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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020186199-A1 | PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF | CALICO LIFE SCIENCES LLC (US) | 2020-09-17 | — | — | WO | disclosed |
| US-10005768-B2 | Carboxamide derivatives and use thereof | PURDUE PHARMA L.P. (US) | 2018-06-26 | — | — | US | disclosed |
| US-20170096421-A1 | Carboxamide Derivatives and Use Thereof | PURDUE PHARMA L.P. | 2017-04-06 | — | — | US | disclosed |
| US-20170096421-A1 | Carboxamide Derivatives and Use Thereof | PURDUE PHARMA L.P. | 2017-04-06 | — | — | US | disclosed |
| US-9493449-B2 | Carboxamide derivatives and use thereof | PURDUE PHARMA L.P. (US) | 2016-11-15 | — | — | US | disclosed |
| US-20160031873-A1 | Carboxamide Derivatives and Use Thereof | PURDUE PHARMA L.P. | 2016-02-04 | — | — | US | disclosed |
| EP-1758585-A4 | HIV INTEGRASE INHIBITORS | MERCK & CO INC (US) | 2009-07-22 | — | — | EP | disclosed |
| US-7476666-B2 | HIV integrase inhibitors | MERCK & CO., INC. (US) | 2009-01-13 | — | — | US | disclosed |
| US-20080015187-A1 | Hiv Integrase Inhibitors | MERCK SHARP & DOHME CORP. | 2008-01-17 | — | — | US | disclosed |
| EP-1758585-A2 | HIV INTEGRASE INHIBITORS | Merck & Co., Inc. (US) | 2007-03-07 | — | — | EP | disclosed |
| WO-2005120516-A2 | HIV INTEGRASE INHIBITORS | MERCK & CO., INC. (US) | 2005-12-22 | — | — | WO | disclosed |