⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29580938 | 0.97 | — | — | |
| Fluoride SCHEMBL31058771 | 0.93 | — | — | |
| Bromide SCHEMBL198828 | 0.93 | — | — | |
| SCHEMBL4939253 | 0.85 | — | — | |
| Thiocyanic Acid SCHEMBL4937848 | 0.81 | — | — | |
| Trifluoromethanesulfonic Acid SCHEMBL4937834 | 0.72 | ACHE (0.36) | — | |
| SCHEMBL29606558 | 0.71 | HSD17B10 (0.32) | — | |
| Water SCHEMBL14840297 | 0.69 | HSD17B10 (0.31) | — | |
| Bromide SCHEMBL14840142 | 0.69 | HSD17B10 (0.31) | — | |
| Hydrochloric Acid SCHEMBL14840264 | 0.69 | HSD17B10 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020166632-A1 | FLUOROLACTONE AND METHOD FOR PRODUCING SAME | ダイキン工業株式会社 | 2020-08-20 | — | — | WO | disclosed |