⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8692175 | 0.75 | — | — | |
| SCHEMBL8688326 | 0.71 | KDM4E (0.30) | — | |
| Formic Acid SCHEMBL19466603 | 0.71 | KDM4E (0.32) | — | |
| SCHEMBL28468424 | 0.70 | ALDH1A1 (0.31) | — | |
| SCHEMBL7344198 | 0.70 | ALDH1A1 (0.31) | — | |
| SCHEMBL7343774 | 0.70 | ALDH1A1 (0.31) | — | |
| SCHEMBL8576107 | 0.67 | — | — | |
| SCHEMBL8596797 | 0.67 | — | — | |
| SCHEMBL18045459 | 0.66 | — | — | |
| SCHEMBL21058288 | 0.64 | KDM4E (0.36) | — |
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-109311893-B | Pyrrolopyrimidines with substituted cyclopentyl groups | 正大天晴药业集团股份有限公司 | 2020-09-04 | — | — | CN | disclosed |
| US-10617692-B2 | Pyrrolopyrimidine comprising cyclopentyl substituent | CENTAURUS BIOPHARMA CO. (CN) | 2020-04-14 | — | — | US | disclosed |
| US-20190183899-A1 | PYRROLOPYRIMIDINE COMPRISING CYCLOPENTYL SUBSTITUENT | CENTAURUS BIOPHARMA CO., LTD. (CN) | 2019-06-20 | — | — | US | disclosed |