⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18269374 | 0.86 | — | — | |
| SCHEMBL25848375 | 0.86 | — | — | |
| SCHEMBL25848376 | 0.82 | — | — | |
| SCHEMBL20941970 | 0.77 | — | — | |
| SCHEMBL2872304 | 0.77 | — | — | |
| SCHEMBL26257830 | 0.75 | — | — | |
| SCHEMBL16477248 | 0.75 | CES1 (0.32) | — | |
| SCHEMBL31685987 | 0.74 | — | — | |
| SCHEMBL31685969 | 0.71 | — | — | |
| SCHEMBL1035786 | 0.71 | CA2 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20200255623-A1 | NON-REACTIVE FLUORO COMPOUND AND PHOTOPOLYMER COMPOSITION COMPRISING THE SAME | LG CHEM, LTD. (KR) | 2020-08-13 | — | — | US | disclosed |