⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3943409 | 0.74 | — | — | |
| SCHEMBL8579139 | 0.67 | KDM1A (0.32) | — | |
| SCHEMBL2339926 | 0.65 | KDM1A (0.31) | — | |
| SCHEMBL7598535 | 0.64 | — | — | |
| SCHEMBL3141803 | 0.61 | — | — | |
| SCHEMBL17222423 | 0.61 | HDAC3 (0.31) | — | |
| SCHEMBL692908 | 0.61 | HDAC3 (0.31) | — | |
| SCHEMBL3145681 | 0.61 | — | — | |
| SCHEMBL3676411 | 0.61 | — | — | |
| SCHEMBL7588587 | 0.61 | HDAC3 (0.31) | — |
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-112980396-B | Ring skeleton fluorine-containing heat transfer fluid, preparation method and application thereof | 泉州宇极新材料科技有限公司 | 2022-04-12 | — | — | CN | disclosed |
| CN-112980396-A | Ring skeleton fluorine-containing heat transfer fluid, preparation method and application thereof | 泉州宇极新材料科技有限公司 | 2021-06-18 | — | — | CN | disclosed |
| CN-112094627-B | Ring skeleton fluorine-containing heat transfer fluid, preparation method and application thereof | 北京宇极科技发展有限公司 | 2021-03-16 | — | — | CN | disclosed |
| CN-112094627-A | Ring skeleton fluorine-containing heat transfer fluid, preparation method and application thereof | 北京宇极科技发展有限公司 | 2020-12-18 | — | — | CN | disclosed |