⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26614382 | 0.95 | ALDH1A1 (0.42) | — | |
| SCHEMBL29124849 | 0.93 | ALDH1A1 (0.45) | — | |
| SCHEMBL3399580 | 0.93 | ALDH1A1 (0.45) | — | |
| SCHEMBL28275531 | 0.79 | GAA (0.53) | — | |
| SCHEMBL18886969 | 0.77 | — | — | |
| SCHEMBL2492512 | 0.77 | — | — | |
| SCHEMBL28664821 | 0.76 | CYP1A2 (0.35) | — | |
| SCHEMBL22667497 | 0.76 | TPSAB1 (0.48) | — | |
| Hydrochloric Acid SCHEMBL3855897 | 0.75 | — | — | |
| SCHEMBL29975004 | 0.73 | GAA (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024022332-A1 | FAP INHIBITORS | SHANGHAI SINOTAU BIOTECH. CO., LTD (CN) | 2024-02-01 | — | — | WO | disclosed |
| WO-2023098656-A1 | COMPOUNDS FOR THE DEGRADATION OF EGFR KINASE | BEIGENE, LTD. (GB) | 2023-06-08 | — | — | WO | disclosed |