⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19003396 | 0.69 | SELL (0.39) | — | |
| SCHEMBL19996053 | 0.65 | ADRA2A (0.33) | — | |
| SCHEMBL23085013 | 0.58 | TYR (0.33) | — | |
| SCHEMBL7718740 | 0.56 | TRPV1 (0.31) | — | |
| SCHEMBL15687993 | 0.56 | SELL (0.34) | — | |
| Propionaldehyde SCHEMBL27318810 | 0.55 | ALDH1A1 (0.47) | — | |
| SCHEMBL7716592 | 0.55 | SRC (0.37) | — | |
| SCHEMBL3916363 | 0.54 | ADRA2A (0.40) | — | |
| Formic Acid SCHEMBL2160835 | 0.54 | SELL (0.48) | — | |
| SCHEMBL2989000 | 0.54 | ADRB2 (0.42) | — |
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-2017106861-A1 | COMPOSITIONS OF POLYHYDROXYLATED BENZOPHENONES AND METHODS OF TREATMENT OF NEURODEGENERATIVE DISORDERS | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2017-06-22 | — | — | WO | disclosed |