⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL372523 | 0.78 | — | — | |
| SCHEMBL27260254 | 0.75 | — | — | |
| SCHEMBL27529688 | 0.74 | SLC6A1 (0.31) | — | |
| SCHEMBL1847750 | 0.72 | — | — | |
| SCHEMBL337230 | 0.72 | — | — | |
| SCHEMBL6630349 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL720508 | 0.71 | SLC6A1 (0.38) | — | |
| SCHEMBL3364075 | 0.71 | — | — | |
| SCHEMBL2921164 | 0.71 | — | — | |
| SCHEMBL2917809 | 0.70 | CHRNB2 (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-110462797-A | Polishing composition | FUJIMI INC | 2019-11-15 | — | — | CN | disclosed |