⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8894104 | 0.78 | CA1 (0.32) | — | |
| SCHEMBL5209692 | 0.78 | MAPT (0.41) | — | |
| SCHEMBL7922086 | 0.78 | ESR1 (0.45) | — | |
| SCHEMBL17221770 | 0.74 | MGLL (0.41) | — | |
| SCHEMBL6542934 | 0.73 | SRD5A2 (0.47) | — | |
| SCHEMBL348336 | 0.69 | — | — | |
| SCHEMBL3747673 | 0.66 | MGLL (0.47) | — | |
| SCHEMBL3280683 | 0.66 | ALDH1A1 (0.36) | — | |
| SCHEMBL1121775 | 0.65 | ESR1 (0.46) | — | |
| SCHEMBL27666552 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0368946-B1 | 1,2-DIOXETANES | TROPIX INC (US) | 1994-09-14 | — | — | EP | disclosed |