⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8596533 | 0.75 | DPP4 (0.34) | — | |
| SCHEMBL8597733 | 0.74 | PLG (0.36) | — | |
| SCHEMBL8019790 | 0.72 | PLG (0.31) | — | |
| SCHEMBL8597484 | 0.64 | PLG (0.37) | — | |
| SCHEMBL8599839 | 0.61 | BLM (0.42) | — | |
| SCHEMBL8596987 | 0.59 | PLG (0.38) | — | |
| SCHEMBL8890636 | 0.59 | PLG (0.54) | — | |
| SCHEMBL7993623 | 0.58 | ALOX15 (0.31) | — | |
| SCHEMBL3212100 | 0.57 | LMNA (0.47) | — | |
| SCHEMBL27745328 | 0.57 | TYR (0.39) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0585130-B1 | External preparation for skin containing a depigmentation agent | SHISEIDO CO LTD (JP) | 1998-01-28 | — | — | EP | disclosed |
| EP-0585130-A2 | External preparation for skin containing a depigmentation agent | SHISEIDO COMPANY LIMITED (JP) | 1994-03-02 | — | — | EP | disclosed |