⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28441754 | 1.00 | — | — | |
| SCHEMBL24083337 | 0.82 | HCAR2 (0.32) | — | |
| SCHEMBL22315710 | 0.68 | HCAR2 (0.30) | — | |
| SCHEMBL22316983 | 0.68 | HCAR2 (0.30) | — | |
| Hydrochloric Acid SCHEMBL28701463 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL28701466 | 0.67 | — | — | |
| SCHEMBL5038982 | 0.63 | NPC1 (0.50) | — | |
| Hydrochloric Acid SCHEMBL9460054 | 0.61 | TBXAS1 (0.46) | — | |
| SCHEMBL12549579 | 0.60 | — | — | |
| SCHEMBL23241590 | 0.60 | SLC22A6 (0.38) | — |
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-111518101-B | Pyrrolopyrimidine derivatives and uses thereof | 武汉人福创新药物研发中心有限公司 | 2022-07-29 | — | — | CN | disclosed |
| CN-111518101-A | Pyrrolopyrimidine derivatives and uses thereof | 湖北生物医药产业技术研究院有限公司 | 2020-08-11 | — | — | CN | disclosed |