⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23868158 | 0.79 | — | — | |
| SCHEMBL22519822 | 0.79 | — | — | |
| SCHEMBL21798256 | 0.78 | KDM4E (0.38) | — | |
| SCHEMBL1352437 | 0.77 | CA1 (0.31) | — | |
| Fluoride SCHEMBL3082074 | 0.75 | CA1 (0.30) | — | |
| SCHEMBL27794282 | 0.74 | — | — | |
| SCHEMBL22519929 | 0.73 | — | — | |
| SCHEMBL18937149 | 0.73 | CYP1A2 (0.40) | — | |
| SCHEMBL1419553 | 0.73 | CYP1A2 (0.40) | — | |
| SCHEMBL18937148 | 0.73 | CYP1A2 (0.40) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023121939-A1 | SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AND METHODS OF USE THEREOF | MERCK SHARP & DOHME LLC (US) | 2023-06-29 | — | — | WO | disclosed |