⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6158040 | 0.73 | — | — | |
| SCHEMBL4115413 | 0.72 | — | — | |
| SCHEMBL23879796 | 0.70 | TDP1 (0.45) | — | |
| SCHEMBL1156661 | 0.69 | MMP2 (0.36) | — | |
| SCHEMBL23879782 | 0.69 | KMT2A (0.30) | — | |
| SCHEMBL23879808 | 0.69 | ALDH1A1 (0.31) | — | |
| SCHEMBL103364 | 0.67 | — | — | |
| SCHEMBL487362 | 0.67 | — | — | |
| SCHEMBL27566245 | 0.67 | MMP1 (0.34) | — | |
| SCHEMBL9357378 | 0.65 | TSHR (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-107849013-B | Cyanopyrrolidines as DUB inhibitors for the treatment of cancer | 特殊治疗有限公司 | 2022-03-29 | — | — | CN | disclosed |
| CN-113874079-A | Bridged tricyclic carbamoylpyridone compounds and pharmaceutical use thereof | 吉利德科学公司 | 2021-12-31 | — | — | CN | disclosed |