⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8678117 | 0.86 | MEN1 (0.33) | — | |
| SCHEMBL11419954 | 0.74 | — | — | |
| SCHEMBL5254875 | 0.72 | — | — | |
| SCHEMBL2691519 | 0.72 | — | — | |
| SCHEMBL10970897 | 0.72 | FFAR3 (0.34) | — | |
| SCHEMBL11832757 | 0.70 | — | — | |
| SCHEMBL20548184 | 0.70 | — | — | |
| SCHEMBL823033 | 0.70 | — | — | |
| SCHEMBL1182537 | 0.68 | CYP19A1 (0.33) | — | |
| SCHEMBL14193069 | 0.68 | — | — |
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-118146096-A | 2, 2-Dimethyl-5- (4-chlorobenzyl) cyclopentanone derivative and preparation method thereof | 浙江大学 | 2024-06-07 | — | — | CN | disclosed |
| CN-109689649-B | Bicyclic heteroaryl substituted compounds | 百时美施贵宝公司 | 2022-07-19 | — | — | CN | disclosed |
| EP-3484881-B1 | BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS | BRISTOL MYERS SQUIBB CO (US) | 2020-04-29 | — | — | EP | disclosed |
| WO-2018013770-A1 | BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-01-18 | — | — | WO | disclosed |