⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5585865 | 0.75 | — | — | |
| SCHEMBL22296055 | 0.74 | — | — | |
| SCHEMBL20686787 | 0.74 | — | — | |
| SCHEMBL22872732 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL3726210 | 0.72 | — | — | |
| Ammonia Solution, Strong SCHEMBL20562721 | 0.72 | — | — | |
| SCHEMBL20686839 | 0.72 | — | — | |
| Ammonia Solution, Strong SCHEMBL2995602 | 0.72 | — | — | |
| SCHEMBL22641428 | 0.70 | — | — | |
| SCHEMBL23206418 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230339952-A1 | MACROCYCLIC HETEROCYCLES AND USES THEREOF | KUMQUAT BIOSCIENCES INC. | 2023-10-26 | — | — | US | disclosed |
| WO-2021149817-A1 | Enhancement of anti-tumor activity of SHP2 inhibitor pyrimidinone in combination with novel cancer medicines in cancers | TAIHO PHARMACEUTICAL CO., LTD. (JP) | 2021-07-29 | — | — | WO | disclosed |