⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24361821 | 0.82 | — | — | |
| SCHEMBL10262727 | 0.81 | ALDH1A1 (0.31) | — | |
| SCHEMBL22503115 | 0.80 | CA1 (0.32) | — | |
| SCHEMBL19019484 | 0.80 | — | — | |
| SCHEMBL12997474 | 0.77 | ALDH1A1 (0.30) | — | |
| SCHEMBL19901526 | 0.77 | — | — | |
| SCHEMBL26059440 | 0.76 | — | — | |
| SCHEMBL21504660 | 0.75 | — | — | |
| SCHEMBL26445968 | 0.75 | — | — | |
| SCHEMBL12604984 | 0.75 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20220127225-A1 | ONIUM SALT, CHEMICALLY AMPLIFIED RESIST COMPOSITION AND PATTERNING PROCESS | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2022-04-28 | — | — | US | disclosed |