⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27632698 | 0.72 | — | — | |
| SCHEMBL4940279 | 0.72 | — | — | |
| SCHEMBL1700921 | 0.65 | ALDH1A1 (0.35) | — | |
| SCHEMBL11287208 | 0.65 | — | — | |
| SCHEMBL3594959 | 0.64 | — | — | |
| SCHEMBL14721731 | 0.64 | — | — | |
| SCHEMBL1983210 | 0.61 | — | — | |
| SCHEMBL3914468 | 0.61 | — | — | |
| SCHEMBL10549230 | 0.61 | — | — | |
| SCHEMBL23112335 | 0.60 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106132947-B | Process for the preparation of compounds | VPS-3有限公司 | 2019-08-09 | — | — | CN | disclosed |
| CN-109678791-A | The fluoro- 2- of 1- (2,4 difluorobenzene) -2,2- two (5- substituted pyridines -2- base) ethyl ketone and preparation method | VPS-3有限公司 | 2019-04-26 | — | — | CN | disclosed |