⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16967529 | 0.65 | — | — | |
| SCHEMBL17894038 | 0.64 | — | — | |
| SCHEMBL5275730 | 0.63 | — | — | |
| SCHEMBL15873621 | 0.63 | — | — | |
| SCHEMBL17892949 | 0.62 | — | — | |
| SCHEMBL2318194 | 0.60 | SRD5A1 (0.42) | — | |
| SCHEMBL9614870 | 0.58 | — | — | |
| SCHEMBL3322087 | 0.57 | — | — | |
| SCHEMBL11228217 | 0.57 | — | — | |
| SCHEMBL16967861 | 0.56 | CA1 (0.35) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2948458-A1 | BTK INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2015-12-02 | — | — | EP | disclosed |
| WO-2014114185-A1 | BTK INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2014-07-31 | — | — | WO | disclosed |
| EP-2323651-A2 | COMPOUNDS FOR THE TREATMENT OF FLAVIVIRAL INFECTIONS | Summit Corporation Plc (GB) | 2011-05-25 | — | — | EP | disclosed |
| WO-2010015815-A2 | COMPOUNDS FOR THE TREATMENT OF FLAVIVIRAL INFECTIONS | SUMMIT CORPORATION PLC (GB) | 2010-02-11 | — | — | WO | disclosed |