⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12105173 | 0.88 | HRH3 (0.66) | — | |
| SCHEMBL8963903 | 0.79 | HRH3 (0.73) | — | |
| SCHEMBL3136369 | 0.78 | — | — | |
| SCHEMBL27501321 | 0.76 | HRH3 (0.58) | — | |
| SCHEMBL8964986 | 0.75 | HRH3 (0.79) | — | |
| SCHEMBL8963886 | 0.75 | HRH3 (0.75) | — | |
| SCHEMBL27680736 | 0.75 | HRH3 (0.50) | — | |
| SCHEMBL20809601 | 0.73 | HRH3 (0.54) | — | |
| SCHEMBL3909858 | 0.73 | HRH3 (0.59) | — | |
| SCHEMBL890317 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023086383-A1 | SELECT KRAS G12C INHIBITORS AND USES THEREOF | 1200 PHARMA LLC (US) | 2023-05-19 | — | — | WO | disclosed |
| CN-105339355-B | Novel CYP17 inhibitor/antiandrogen | 奥赖恩公司 | 2018-02-27 | — | — | CN | disclosed |
| EP-2276464-A2 | COMBINATIONS OF ANTIVIRAL AGENTS AND OTHER COMPOUNDS | Mallinckrodt Inc. (US) | 2011-01-26 | — | — | EP | disclosed |
| WO-2009129094-A2 | COMPOSITIONS CONTAINING ANTIVIRAL COMPOUNDS AND METHODS OF USING THE SAME | MALLINCKRODT INC. (US) | 2009-10-22 | — | — | WO | disclosed |