⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4222875 | 0.65 | TSHR (0.32) | — | |
| SCHEMBL20155909 | 0.60 | — | — | |
| SCHEMBL19198670 | 0.58 | — | — | |
| SCHEMBL20155768 | 0.57 | — | — | |
| SCHEMBL20155303 | 0.55 | — | — | |
| SCHEMBL20194051 | 0.54 | — | — | |
| SCHEMBL2759223 | 0.54 | — | — | |
| SCHEMBL19541528 | 0.53 | — | — | |
| SCHEMBL8131854 | 0.52 | — | — | |
| SCHEMBL22275122 | 0.52 | — | — |
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-20230227484-A1 | PYRIMIDINE COMPOUND AS AXL INHIBITOR | NANJING CHIA TAI TIANQING PHARMACEUTICAL CO., LTD. (CN) | 2023-07-20 | — | — | US | disclosed |