⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17146901 | 1.00 | — | — | |
| SCHEMBL18887601 | 1.00 | — | — | |
| SCHEMBL19019141 | 0.74 | — | — | |
| SCHEMBL12948132 | 0.72 | — | — | |
| SCHEMBL8280822 | 0.71 | — | — | |
| SCHEMBL242680 | 0.71 | — | — | |
| SCHEMBL10285595 | 0.67 | — | — | |
| SCHEMBL4595969 | 0.64 | — | — | |
| SCHEMBL18891131 | 0.60 | — | — | |
| SCHEMBL20080377 | 0.60 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170260177-A1 | METHYL OXAZOLE OREXIN RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2017-09-14 | — | — | US | disclosed |
| US-20170156328-A1 | USE OF AN ANTHRANILIC DIAMIDE DERIVATIVES WITH HETEROAROMATIC AND HETEROCYCLIC SUBSTITUENTS IN COMBINATION WITH A BIOLOGICALCONTROL AGENT | BAYER INTELLECTUAL PROPERTY GMBH | 2017-06-08 | — | — | US | disclosed |
| WO-2015020933-A1 | THIAZOLE OREXIN RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2015-02-12 | — | — | WO | disclosed |
| WO-2014159591-A1 | SUBSTITUTED 7-AZABICYCLES AND THEIR USE AS OREXIN RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA NV (BE) | 2014-10-02 | — | — | WO | disclosed |
| WO-2014100764-A2 | METHODS OF INHIBITING PRMT5 | Epizyme, Inc. (US) | 2014-06-26 | — | — | WO | disclosed |
| WO-2014100730-A1 | PRMT5 INHIBITORS CONTAINING A DIHYDRO- OR TETRAHYDROISOQUINOLINE AND USES THEREOF | Epizyme, Inc. (US) | 2014-06-26 | — | — | WO | disclosed |
| WO-2013067434-A1 | PAK INHIBITORS FOR THE TREATMENT OF FRAGILE X SYNDROME | AFRAXIS, INC. (US) | 2013-05-10 | — | — | WO | disclosed |
| EP-1377556-B1 | PYRAZOLE DERIVATIVES FOR TREATING HIV | PFIZER LTD (GB) | 2007-04-04 | — | — | EP | disclosed |