⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23997262 | 0.70 | MAPT (0.43) | — | |
| SCHEMBL23997412 | 0.69 | L3MBTL1 (0.49) | — | |
| SCHEMBL23997165 | 0.68 | KMT2A (0.41) | — | |
| SCHEMBL12694254 | 0.67 | CTSL (0.43) | — | |
| SCHEMBL29274137 | 0.66 | ALDH1A1 (0.33) | — | |
| SCHEMBL23997321 | 0.66 | — | — | |
| SCHEMBL24197472 | 0.65 | TAAR1 (0.47) | — | |
| SCHEMBL10388342 | 0.65 | CNR1 (0.39) | — | |
| SCHEMBL24197475 | 0.63 | SIGMAR1 (0.45) | — | |
| SCHEMBL24197466 | 0.63 | HTR1B (0.45) | — |
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-2021226003-A1 | IL4I1 INHIBITORS AND METHODS OF USE | MERCK SHARP & DOHME CORP. (US) | 2021-11-11 | — | — | WO | disclosed |