⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24041405 | 0.84 | — | — | |
| SCHEMBL29055677 | 0.82 | LCK (0.41) | — | |
| SCHEMBL21276603 | 0.76 | PLA2G1B (0.32) | — | |
| SCHEMBL18160606 | 0.75 | LCK (0.31) | — | |
| SCHEMBL5743439 | 0.74 | LCK (0.39) | — | |
| Hydrochloric Acid SCHEMBL6239248 | 0.72 | LCK (0.38) | — | |
| SCHEMBL20730792 | 0.72 | LMNA (0.32) | — | |
| Hydrochloric Acid SCHEMBL5743375 | 0.72 | LCK (0.38) | — | |
| SCHEMBL32665282 | 0.71 | — | — | |
| SCHEMBL19840397 | 0.71 | CHRM2 (0.37) | — |
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-3763712-A1 | INDOLIZINE COMPOUNDS, PREPARATION METHOD AND USE THEREOF | Shanghai Haihe Pharmaceutical Co., Ltd. (CN) | 2021-01-13 | — | — | EP | disclosed |