⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL34832 | 0.91 | HPGD (0.31) | — | |
| Acetic Acid SCHEMBL28040003 | 0.86 | — | — | |
| SCHEMBL235402 | 0.81 | TSHR (0.36) | — | |
| SCHEMBL28300799 | 0.77 | ACHE (0.36) | — | |
| SCHEMBL12487440 | 0.74 | ALOX15 (0.34) | — | |
| SCHEMBL29610858 | 0.73 | LMNA (0.48) | — | |
| SCHEMBL78042 | 0.73 | LMNA (0.48) | — | |
| SCHEMBL284797 | 0.73 | TSHR (0.42) | — | |
| SCHEMBL154677 | 0.73 | ALDH1A1 (0.41) | — | |
| SCHEMBL35618 | 0.72 | — | — |
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-103502847-B | Medical devices having homogeneous charge density and methods for making same | 庄臣及庄臣视力保护公司 | 2017-01-18 | — | — | CN | disclosed |