⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17871042 | 1.00 | — | — | |
| SCHEMBL261404 | 1.00 | — | — | |
| SCHEMBL2541085 | 0.97 | — | — | |
| SCHEMBL864645 | 0.97 | — | — | |
| SCHEMBL865193 | 0.92 | — | — | |
| SCHEMBL1742084 | 0.83 | — | — | |
| SCHEMBL261944 | 0.80 | — | — | |
| SCHEMBL919462 | 0.74 | — | — | |
| SCHEMBL211939 | 0.74 | — | — | |
| SCHEMBL11876654 | 0.72 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9663502-B2 | 2-Acylamidomethyl and sulfonylamidomethyl benzoxazine carbamates for inhibition of RORgamma activity and the treatment of disease | LYCERA CORPORATION (US) | 2017-05-30 | — | — | US | claimed |
| EP-3236752-A2 | NOVEL ISOTHIAZOLAMIDES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES | Bayer CropScience Aktiengesellschaft (DE) | 2017-11-01 | — | — | EP | disclosed |
| US-9663502-B2 | 2-Acylamidomethyl and sulfonylamidomethyl benzoxazine carbamates for inhibition of RORgamma activity and the treatment of disease | LYCERA CORPORATION (US) | 2017-05-30 | — | — | US | disclosed |
| US-20160304505-A1 | 2-ACYLAMIDOMETHYL AND SULFONYLAMIDOMETHYL BENZOXAZINE CARBAMATES FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE | MERCK SHARP & DOHME LLC | 2016-10-20 | — | — | US | disclosed |
| WO-2016102435-A2 | NOVEL ISOTHIAZOLAMIDES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2016-06-30 | — | — | WO | disclosed |