⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12200518 | 0.80 | IRAK4 (0.31) | — | |
| SCHEMBL12200521 | 0.80 | IRAK4 (0.31) | — | |
| SCHEMBL2892336 | 0.78 | CACNA1G (0.33) | — | |
| SCHEMBL609051 | 0.77 | IRAK4 (0.32) | — | |
| SCHEMBL609052 | 0.77 | IRAK4 (0.32) | — | |
| SCHEMBL2658028 | 0.75 | SIRT6 (0.40) | — | |
| Ammonia Solution, Strong SCHEMBL1062274 | 0.71 | TBXAS1 (0.31) | — | |
| SCHEMBL1445670 | 0.70 | CNR2 (0.36) | — | |
| SCHEMBL1445671 | 0.70 | CNR2 (0.36) | — | |
| SCHEMBL24696834 | 0.70 | — | — |
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-113912617-A | Substituted tricycles and methods of use | 艾伯维公司 | 2022-01-11 | — | — | CN | disclosed |
| CN-108349930-B | Substituted tricycles and methods of use | 艾伯维公司 | 2021-10-29 | — | — | CN | disclosed |