⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19987815 | 0.80 | FABP3 (0.30) | — | |
| SCHEMBL17571198 | 0.75 | MAPT (0.31) | — | |
| SCHEMBL18256113 | 0.70 | TDO2 (0.32) | — | |
| SCHEMBL19987796 | 0.69 | ALPL (0.31) | — | |
| SCHEMBL23136910 | 0.68 | ESR1 (0.30) | — | |
| SCHEMBL28536124 | 0.66 | SMN1; SMN2 (0.36) | — | |
| SCHEMBL28545457 | 0.65 | EPHX2 (0.39) | — | |
| SCHEMBL18256167 | 0.61 | RAB9A (0.39) | — | |
| SCHEMBL7273231 | 0.61 | PKM (0.50) | — | |
| SCHEMBL28411055 | 0.60 | LMNA (0.35) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107709323-B | Hydroxyl purine compound and application thereof | 广东众生睿创生物科技有限公司 | 2020-11-20 | — | — | CN | disclosed |
| US-10278973-B2 | Hydroxyl purine compounds and use thereof | Guangdong Raynovent Biotech Co., Ltd. (CN) | 2019-05-07 | — | — | US | disclosed |
| US-20180140607-A1 | HYDROXYL PURINE COMPOUNDS AND USE THEREOF | Guangdong Raynovent Biotech Co., Ltd. (CN) | 2018-05-24 | — | — | US | disclosed |
| EP-3299371-A1 | HYDROXYL PURINE COMPOUNDS AND USE THEREOF | GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) | 2018-03-28 | — | — | EP | disclosed |