⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27272784 | 1.00 | — | — | |
| SCHEMBL11071786 | 0.81 | CYP2C19 (0.36) | — | |
| SCHEMBL23002187 | 0.80 | IDUA (0.31) | — | |
| SCHEMBL23002172 | 0.78 | TLR4 (0.32) | — | |
| SCHEMBL23002181 | 0.78 | GABRR1 (0.33) | — | |
| SCHEMBL27699874 | 0.77 | — | — | |
| SCHEMBL9617646 | 0.77 | — | — | |
| SCHEMBL5324376 | 0.77 | — | — | |
| SCHEMBL24108598 | 0.75 | — | — | |
| SCHEMBL149411 | 0.75 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109476653-A | The heteroaromatic regulator of retinoids related orphan receptor y | 利奥制药有限公司 | 2019-03-15 | — | — | CN | disclosed |
| CN-106029064-B | Therapeutic compounds and compositions | 艾克赛特赫拉制药有限责任公司 | 2018-08-14 | — | — | CN | disclosed |
| CN-105189512-A | Pyrrolopyrimindine CDK9 kinase inhibitors | ABBVIE INC | 2015-12-23 | — | — | CN | disclosed |