⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11151623 | 0.85 | — | — | |
| SCHEMBL28398659 | 0.72 | — | — | |
| SCHEMBL29019797 | 0.71 | — | — | |
| SCHEMBL6547283 | 0.62 | — | — | |
| SCHEMBL31243577 | 0.60 | CYP3A4 (0.44) | — | |
| SCHEMBL25328751 | 0.59 | CYP3A4 (0.30) | — | |
| SCHEMBL29184040 | 0.59 | CYP3A4 (0.30) | — | |
| SCHEMBL7189585 | 0.59 | — | — | |
| SCHEMBL11796879 | 0.59 | CYP3A4 (0.33) | — | |
| SCHEMBL28870858 | 0.59 | CYP3A4 (0.30) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106132963-B | (5, 6-dihydro) pyrimido [4,5-e ] indolizines | 荷兰转化研究中心有限责任公司 | 2019-08-06 | — | — | CN | disclosed |