⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23149251 | 0.88 | — | — | |
| SCHEMBL22582036 | 0.77 | PKM (0.34) | — | |
| SCHEMBL17435799 | 0.76 | — | — | |
| SCHEMBL23825692 | 0.72 | — | — | |
| SCHEMBL2725107 | 0.71 | TSHR (0.31) | — | |
| Hydrochloric Acid SCHEMBL22396817 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL22396819 | 0.69 | — | — | |
| SCHEMBL1139842 | 0.69 | FFAR3 (0.35) | — | |
| SCHEMBL14358349 | 0.68 | — | — | |
| SCHEMBL14910753 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020166680-A1 | 7H-PYRROLO[2,3-D]PYRIMIDINE-4-AMINE DERIVATIVE | 大鵬薬品工業株式会社 | 2020-08-20 | — | — | WO | disclosed |