⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20206883 | 0.78 | CYP3A4 (0.32) | — | |
| SCHEMBL11526148 | 0.74 | TSHR (0.36) | — | |
| SCHEMBL4653047 | 0.74 | TSHR (0.36) | — | |
| SCHEMBL598883 | 0.69 | ALDH1A1 (0.35) | — | |
| SCHEMBL28167341 | 0.67 | TSHR (0.32) | — | |
| SCHEMBL11726366 | 0.66 | CACNA2D1 (0.46) | — | |
| SCHEMBL12059090 | 0.66 | TSHR (0.48) | — | |
| SCHEMBL3341567 | 0.66 | ALDH1A1 (0.42) | — | |
| SCHEMBL19428361 | 0.66 | TSHR (0.48) | — | |
| SCHEMBL24218208 | 0.66 | CACNA2D1 (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3811970-A1 | REGULATABLE CHIMERIC ANTIGEN RECEPTOR | Novartis AG (CH) | 2021-04-28 | — | — | EP | disclosed |