⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10785172 | 0.77 | MAPT (0.35) | — | |
| SCHEMBL630803 | 0.77 | — | — | |
| SCHEMBL9765943 | 0.72 | — | — | |
| SCHEMBL3265230 | 0.72 | — | — | |
| SCHEMBL6052748 | 0.72 | — | — | |
| SCHEMBL27684868 | 0.72 | — | — | |
| SCHEMBL15693462 | 0.70 | — | — | |
| SCHEMBL4058604 | 0.69 | ALDH1A1 (0.36) | — | |
| SCHEMBL7703204 | 0.69 | — | — | |
| SCHEMBL10785169 | 0.69 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-6256278-A | — | — | None | — | — | JP | disclosed |
| WO-2023279426-A1 | POLYSUBSTITUTED SELENIUM-CONTAINING CYCLOPENT(HEX)ENE FRAMEWORK DERIVATIVE AND SYNTHESIS METHOD THEREFOR | 苏州大学 | 2023-01-12 | — | — | WO | disclosed |
| CN-100396708-C | Graft copolymer, composition containing the same and molded object thereof, and process for producing the same | NOF CORP (JP) | 2008-06-25 | — | — | CN | disclosed |
| CN-1705690-A | Graft copolymer, composition containing the same and molded object thereof, and process for producing the same | NOF CORP (JP) | 2005-12-07 | — | — | CN | disclosed |
| JP-H06256278-A | OPTICALLY ACTIVE ALPHA-CARBAMOYLALKANOIC ACID DERIVATIVE AND ITS PRODUCTION | NISSAN CHEM IND LTD | 1994-09-13 | — | — | JP | disclosed |