⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL31570971 | 0.97 | PHGDH (0.42) | — | |
| SCHEMBL1681337 | 0.78 | — | — | |
| SCHEMBL28144597 | 0.77 | CA2 (0.46) | — | |
| SCHEMBL27974856 | 0.77 | — | — | |
| SCHEMBL29201235 | 0.75 | CA2 (0.46) | — | |
| SCHEMBL668322 | 0.74 | — | — | |
| SCHEMBL3088297 | 0.74 | — | — | |
| SCHEMBL11327945 | 0.74 | — | — | |
| SCHEMBL27389005 | 0.74 | — | — | |
| SCHEMBL2739524 | 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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100197619-A1 | CYCLIN-DEPENDENT PROTEIN KINASES INHIBITORS OF SCUTELLARIA FLAVONOID ORGANIC AMINE DERIVATIVES, SYNTHESIS AND USE THEREOF | ZHANG SHIXUAN | 2010-08-05 | — | — | US | claimed |
| US-8377895-B2 | Cyclin-dependent protein kinases inhibitors of Scutellaria flavonoid organic amine derivatives, synthesis and use thereof | ZHANG SHIXUAN (CN) | 2013-02-19 | — | — | US | disclosed |
| US-8058277-B2 | Substituted indoles | MERCK PATENT GMBH (DE) | 2011-11-15 | — | — | US | disclosed |
| US-20100197619-A1 | CYCLIN-DEPENDENT PROTEIN KINASES INHIBITORS OF SCUTELLARIA FLAVONOID ORGANIC AMINE DERIVATIVES, SYNTHESIS AND USE THEREOF | ZHANG SHIXUAN | 2010-08-05 | — | — | US | disclosed |
| US-20090291963-A1 | SUBSTITUTED INDOLES | SCHADT OLIVER | 2009-11-26 | — | — | US | disclosed |
| US-7572796-B2 | Substituted indoles | MERCK PATENT GMBH (DE) | 2009-08-11 | — | — | US | disclosed |
| US-20090054459-A1 | Substituted indoles | SCHADT OLIVER | 2009-02-26 | — | — | US | disclosed |
| EP-1880993-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND | KYOWA HAKKO KOGYO CO., LTD. (JP) | 2008-01-23 | — | — | EP | disclosed |
| EP-0620003-B1 | VASOPRESSIN ANTAGONIST AND OXYTOCIN ANTAGONIST | OTSUKA PHARMA CO LTD (JP) | 2008-01-16 | — | — | EP | disclosed |