⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6706225 | 0.75 | — | — | |
| SCHEMBL1725245 | 0.75 | — | — | |
| SCHEMBL12963770 | 0.75 | — | — | |
| SCHEMBL16346569 | 0.71 | NOS2 (0.47) | — | |
| SCHEMBL9593913 | 0.71 | NOS2 (0.44) | — | |
| SCHEMBL16679336 | 0.71 | MEN1 (0.39) | — | |
| Hydrochloric Acid SCHEMBL29354497 | 0.71 | HSP90AA1 (0.47) | — | |
| SCHEMBL16848019 | 0.70 | — | — | |
| SCHEMBL31035839 | 0.70 | LMNA (0.40) | — | |
| SCHEMBL807843 | 0.70 | MEN1 (0.49) | — |
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-102491973-A | Synthetic method for ZD (Zero Defects)-4054 | NANJING YOUJIE MEDICAL TECHNOLOGY CO LTD | 2012-06-13 | — | — | CN | claimed |
| EP-3442047-A1 | ORGANIC LIGHT-EMITTING DISPLAY APPARATUS | Samsung Display Co., Ltd. (KR) | 2019-02-13 | — | — | EP | disclosed |
| WO-2008005964-A2 | PHOSPHONATE AND PHOSPHINATE COMPOUNDS AS GLUCOKINASE ACTIVATORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2008-01-10 | — | — | WO | disclosed |