⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15289539 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL16632267 | 0.88 | — | — | |
| SCHEMBL18744473 | 0.82 | — | — | |
| SCHEMBL18457917 | 0.79 | ALDH1A1 (0.36) | — | |
| SCHEMBL18683489 | 0.78 | ODC1 (0.32) | — | |
| SCHEMBL25565508 | 0.77 | — | — | |
| SCHEMBL18679428 | 0.77 | — | — | |
| SCHEMBL21499626 | 0.77 | — | — | |
| SCHEMBL27097946 | 0.77 | — | — | |
| SCHEMBL14433946 | 0.76 | — | — |
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-3412700-B1 | COMPOUNDS | SHINETSU CHEMICAL CO (JP) | 2020-05-20 | — | — | EP | disclosed |