⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14278337 | 0.76 | PTGS2 (0.53) | — | |
| SCHEMBL351854 | 0.73 | SOS1 (0.58) | — | |
| SCHEMBL6290683 | 0.73 | SOS1 (0.58) | — | |
| SCHEMBL6289867 | 0.73 | SOS1 (0.58) | — | |
| SCHEMBL7367702 | 0.71 | SOS1 (0.56) | — | |
| SCHEMBL13673376 | 0.71 | — | — | |
| SCHEMBL9879265 | 0.71 | MAOB (0.39) | — | |
| SCHEMBL13499 | 0.71 | — | — | |
| SCHEMBL15120976 | 0.69 | MAPT (0.47) | — | |
| SCHEMBL9854868 | 0.69 | MAOB (0.47) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230324801-A1 | UNDERLAYER FILM FORMING COMPOSITION FOR LITHOGRAPHY, UNDERLAYER FILM, AND PATTERN FORMATION METHOD | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2023-10-12 | — | — | US | disclosed |
| US-20170137341-A1 | FLUORINATION METHOD | OXFORD UNIVERSITY INNOVATION LIMITED (GB) | 2017-05-18 | — | — | US | disclosed |