⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21982584 | 0.95 | CNR2 (0.33) | — | |
| SCHEMBL21282713 | 0.95 | — | — | |
| SCHEMBL23085646 | 0.94 | CNR2 (0.32) | — | |
| SCHEMBL19851851 | 0.92 | ESR1 (0.30) | — | |
| SCHEMBL22017250 | 0.85 | — | — | |
| SCHEMBL19521895 | 0.79 | KCNH2 (0.30) | — | |
| SCHEMBL23745621 | 0.79 | KCNH2 (0.30) | — | |
| SCHEMBL19401021 | 0.78 | — | — | |
| SCHEMBL22482128 | 0.78 | — | — | |
| SCHEMBL22508015 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230190797-A1 | COMPOSITIONS AND METHODS FOR ADOPTIVE CELL THERAPY | MEMORIAL SLOAN KETTERING CANCER CENTER (US) | 2023-06-22 | — | — | US | disclosed |