⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13594449 | 0.82 | — | — | |
| SCHEMBL16052319 | 0.73 | — | — | |
| SCHEMBL11895917 | 0.73 | — | — | |
| SCHEMBL14141024 | 0.69 | — | — | |
| SCHEMBL7854560 | 0.67 | SLC6A12 (0.44) | — | |
| Hydrochloric Acid SCHEMBL17801451 | 0.65 | SLC6A12 (0.43) | — | |
| SCHEMBL8795941 | 0.65 | — | — | |
| SCHEMBL8718607 | 0.64 | SIGMAR1 (0.36) | — | |
| SCHEMBL5042809 | 0.64 | — | — | |
| SCHEMBL22745753 | 0.63 | SIGMAR1 (0.31) | — |
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-2009097349-A1 | THERAPEUTIC COMPOSITIONS | SHIRE HUMAN GENETIC THERAPIES, INC. (US) | 2009-08-06 | — | — | WO | disclosed |