⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL120044 | 1.00 | — | — | |
| SCHEMBL120045 | 1.00 | — | — | |
| Ethane SCHEMBL8500378 | 0.94 | — | — | |
| SCHEMBL8498997 | 0.82 | — | — | |
| SCHEMBL192490 | 0.72 | — | — | |
| SCHEMBL14885565 | 0.71 | — | — | |
| SCHEMBL15756157 | 0.69 | — | — | |
| SCHEMBL16490926 | 0.69 | — | — | |
| SCHEMBL16204763 | 0.69 | — | — | |
| SCHEMBL18289536 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3845532-A1 | QUINOLINO-PYRROLIDIN-2-ONE DERIVATIVE AND APPLICATION THEREOF | Medshine Discovery Inc. (CN) | 2021-07-07 | — | — | EP | disclosed |
| EP-2918589-A1 | ADENINE DERIVATIVE AS PI3K INHIBITOR | Intellikine, LLC (US) | 2015-09-16 | — | — | EP | disclosed |
| US-20120105758-A1 | LIQUID CRYSTAL PANEL, MANUFACTURE METHOD AND REPAIR METHOD THEREOF | BEIJING BOE OPTOELECTRONICS TECHNOLOGY CO., LTD. (CN) | 2012-05-03 | — | — | US | disclosed |