⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18758018 | 0.82 | TSHR (0.32) | — | |
| SCHEMBL21281785 | 0.82 | TSHR (0.32) | — | |
| SCHEMBL21281784 | 0.73 | — | — | |
| SCHEMBL18400944 | 0.72 | TSHR (0.32) | — | |
| SCHEMBL18457106 | 0.66 | TSHR (0.36) | — | |
| SCHEMBL23963260 | 0.63 | TSHR (0.35) | — | |
| SCHEMBL11614886 | 0.59 | TSHR (0.48) | — | |
| SCHEMBL19807192 | 0.56 | TSHR (0.33) | — | |
| SCHEMBL22432364 | 0.55 | — | — | |
| SCHEMBL12889199 | 0.55 | ALDH1A1 (0.32) | — |
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-20210341839-A1 | FLUOROCARBOXYLIC ACID-CONTAINING MONOMER, FLUOROCARBOXYLIC ACID-CONTAINING POLYMER, RESIST COMPOSITION AND PATTERNING PROCESS | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2021-11-04 | — | — | US | disclosed |