⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3459915 | 0.73 | HSD11B1 (0.31) | — | |
| SCHEMBL11781415 | 0.67 | — | — | |
| SCHEMBL28378049 | 0.67 | — | — | |
| SCHEMBL1669344 | 0.66 | CYP3A4 (0.36) | — | |
| SCHEMBL4238594 | 0.64 | LTA4H (0.31) | — | |
| SCHEMBL43902 | 0.64 | CALM1 (0.31) | — | |
| SCHEMBL7603381 | 0.63 | — | — | |
| SCHEMBL18260152 | 0.63 | — | — | |
| SCHEMBL9504587 | 0.63 | — | — | |
| SCHEMBL3320852 | 0.63 | HTR6 (0.36) | — |
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-109071806-B | Crosslinked polymers, method for the production and use thereof | 巴斯夫欧洲公司 | 2021-06-11 | — | — | CN | claimed |
| CN-109071806-B | Crosslinked polymers, method for the production and use thereof | 巴斯夫欧洲公司 | 2021-06-11 | — | — | CN | disclosed |