⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2253364 | 0.82 | DRD2 (0.32) | — | |
| SCHEMBL8007532 | 0.80 | LMNA (0.42) | — | |
| SCHEMBL2257069 | 0.78 | CA12 (0.36) | — | |
| SCHEMBL16562821 | 0.77 | GRM5 (0.33) | — | |
| SCHEMBL27169519 | 0.77 | NPC1 (0.31) | — | |
| SCHEMBL29447891 | 0.76 | TSHR (0.42) | — | |
| SCHEMBL22322029 | 0.76 | ALDH1A1 (0.37) | — | |
| SCHEMBL604901 | 0.76 | ALDH1A1 (0.36) | — | |
| SCHEMBL20853755 | 0.74 | HTR2A (0.34) | — | |
| SCHEMBL20853776 | 0.74 | QPCT (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-113454086-A | Imidazo [2,1-F ] [1,2,4] triazin-4-amine derivatives as TLR7 agonists | 百济神州有限公司 | 2021-09-28 | — | — | CN | disclosed |