⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2326455 | 0.77 | HSD11B1 (0.31) | — | |
| SCHEMBL14630450 | 0.77 | PROKR1 (0.32) | — | |
| SCHEMBL14636476 | 0.72 | — | — | |
| SCHEMBL15913566 | 0.66 | — | — | |
| SCHEMBL2324491 | 0.64 | — | — | |
| SCHEMBL15913992 | 0.62 | CA12 (0.32) | — | |
| SCHEMBL14637076 | 0.61 | — | — | |
| SCHEMBL14637232 | 0.60 | — | — | |
| SCHEMBL14630143 | 0.57 | — | — | |
| SCHEMBL14636765 | 0.56 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2734529-B1 | BTK INHIBITORS | MERCK SHARP & DOHME (US) | 2018-09-05 | — | — | EP | disclosed |
| US-9718828-B2 | BTK Inhibitors | MERCK SHARP & DOHME CORP. (US) | 2017-08-01 | — | — | US | disclosed |
| US-20170008899-A1 | BTK INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2017-01-12 | — | — | US | disclosed |
| US-20140221333-A1 | BTK INHIBITORS | MERCK SHARP & DOHME B.V. (NL) | 2014-08-07 | — | — | US | disclosed |
| EP-2734529-A1 | BTK INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2014-05-28 | — | — | EP | disclosed |
| WO-2013010380-A1 | BTK INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2013-01-24 | — | — | WO | disclosed |