⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL256779 | 0.81 | — | — | |
| SCHEMBL2621587 | 0.77 | — | — | |
| SCHEMBL25309927 | 0.76 | — | — | |
| Tetrahydrofuran SCHEMBL11376923 | 0.73 | ALDH1A1 (0.50) | — | |
| SCHEMBL1558663 | 0.67 | ALDH1A1 (0.42) | — | |
| SCHEMBL2621590 | 0.66 | — | — | |
| SCHEMBL20526664 | 0.66 | — | — | |
| Fluoride SCHEMBL17256739 | 0.66 | — | — | |
| SCHEMBL9436789 | 0.65 | — | — | |
| SCHEMBL256748 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230265094-A1 | RIPK1 INHIBITORS AND METHODS OF USE | MERCK SHARP & DOHME LLC (US) | 2023-08-24 | — | — | US | disclosed |
| WO-2017122495-A1 | CERAMIDE CONTENT INCREASING AGENTS | 国立大学法人富山大学 | 2017-07-20 | — | — | WO | disclosed |
| US-20120045851-A1 | LABELS, THEIR PRODUCTION PROCESS AND THEIR USES | LABORATOIRES SYNTH-INNOVE (FR) | 2012-02-23 | — | — | US | disclosed |
| US-20120045851-A1 | LABELS, THEIR PRODUCTION PROCESS AND THEIR USES | LABORATOIRES SYNTH-INNOVE (FR) | 2012-02-23 | — | — | US | disclosed |