⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17676637 | 0.79 | CES1 (0.31) | — | |
| Tetramethylammonium Ion SCHEMBL28622319 | 0.79 | CES1 (0.32) | — | |
| SCHEMBL11843984 | 0.73 | — | — | |
| SCHEMBL3988095 | 0.71 | — | — | |
| SCHEMBL28394695 | 0.70 | — | — | |
| SCHEMBL28846091 | 0.70 | — | — | |
| SCHEMBL15081211 | 0.70 | — | — | |
| SCHEMBL9596502 | 0.69 | — | — | |
| SCHEMBL10180342 | 0.67 | — | — | |
| SCHEMBL17553325 | 0.66 | ADRB2 (0.38) | — |
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-20210317061-A1 | METHOD FOR PRODUCING FLUOROALKOXIDE | DAIKIN INDUSTRIES, LTD. (JP) | 2021-10-14 | — | — | US | disclosed |