⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27854797 | 0.88 | HRH3 (0.37) | — | |
| SCHEMBL5815987 | 0.86 | DHFR (0.40) | — | |
| SCHEMBL4655460 | 0.82 | — | — | |
| SCHEMBL1559608 | 0.79 | HCAR2 (0.38) | — | |
| SCHEMBL22496974 | 0.79 | HTR1A (0.35) | — | |
| SCHEMBL4654505 | 0.78 | — | — | |
| SCHEMBL22572959 | 0.78 | HTR2A (0.33) | — | |
| SCHEMBL7026720 | 0.76 | HMGCR (0.31) | — | |
| SCHEMBL6850572 | 0.76 | — | — | |
| SCHEMBL20927578 | 0.74 | ATM (0.34) | — |
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-110167943-A | Pyrrolotriazine derivatives as kinase inhibitor | 株式会社大熊制药 | 2019-08-23 | — | — | CN | disclosed |
| CN-108934162-A | Pyrrolopyrimidine compounds, as purposes of kinases LRRK2 inhibitor and preparation method thereof | 南方研究所 | 2018-12-04 | — | — | CN | disclosed |