⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4304111 | 0.75 | — | — | |
| SCHEMBL17672 | 0.75 | — | — | |
| SCHEMBL289440 | 0.72 | — | — | |
| SCHEMBL20051942 | 0.72 | — | — | |
| SCHEMBL10418279 | 0.72 | ALDH1A1 (0.30) | — | |
| Fluoride SCHEMBL28027751 | 0.72 | — | — | |
| Isobutane SCHEMBL1148959 | 0.70 | — | — | |
| SCHEMBL1596074 | 0.70 | — | — | |
| SCHEMBL24152874 | 0.69 | — | — | |
| SCHEMBL4592081 | 0.69 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10842792-B2 | Deuterated baricitinib | CONCERT PHARMACEUTICALS, INC. (US) | 2020-11-24 | — | — | US | disclosed |
| EP-3492472-A1 | DEUTERATED BARICITINIB WITH IMPROVED METABOLIC STABILITY AS JAK1 AND JAK2 KINASE INHIBITOR FOR TREATING E.G. RHEUMATOID ARTHRITIS | Concert Pharmaceuticals Inc. (US) | 2019-06-05 | — | — | EP | disclosed |
| EP-2885303-B1 | DEUTERATED BARICITINIB | CONCERT PHARMACEUTICALS INC (US) | 2018-12-26 | — | — | EP | disclosed |
| US-20180221374-A1 | DEUTERATED BARICITINIB | SUN PHARMACEUTICAL INDUSTRIES, INC. | 2018-08-09 | — | — | US | disclosed |
| US-9931343-B2 | Deuterated baricitinib | CONCERT PHARMACEUTICALS, INC. (US) | 2018-04-03 | — | — | US | disclosed |
| US-20170189406-A1 | DEUTERATED BARICITINIB | SUN PHARMACEUTICAL INDUSTRIES, INC. | 2017-07-06 | — | — | US | disclosed |
| US-9540367-B2 | Deuterated baricitinib | CONCERT PHARMACEUTICALS, INC. (US) | 2017-01-10 | — | — | US | disclosed |
| US-20150218158-A1 | DEUTERATED BARICITINIB | SUN PHARMACEUTICAL INDUSTRIES, INC. | 2015-08-06 | — | — | US | disclosed |
| EP-2885303-A1 | DEUTERATED BARICITINIB | Concert Pharmaceuticals Inc. (US) | 2015-06-24 | — | — | EP | disclosed |
| WO-2014028756-A1 | DEUTERATED BARICITINIB | CONCERT PHARMACEUTICALS, INC. (US) | 2014-02-20 | — | — | WO | disclosed |