⚠ 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 | |
|---|---|---|---|---|
| Hydrogen Peroxide SCHEMBL9321454 | 0.77 | TSHR (0.33) | — | |
| Hydrogen Peroxide SCHEMBL8769782 | 0.77 | TSHR (0.33) | — | |
| SCHEMBL225103 | 0.76 | — | — | |
| SCHEMBL6271453 | 0.73 | — | — | |
| SCHEMBL16673711 | 0.73 | MEN1 (0.38) | — | |
| Water SCHEMBL3180232 | 0.72 | TSHR (0.36) | — | |
| SCHEMBL11236418 | 0.69 | TSHR (0.33) | — | |
| SCHEMBL21052521 | 0.69 | TSHR (0.33) | — | |
| SCHEMBL528387 | 0.65 | — | — | |
| SCHEMBL7822373 | 0.64 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5500416-A | TRANSDERMAL DRUG DELIVERY | SHISEIDO COMPANY LTD. (JP) | 1996-03-19 | — | — | US | disclosed |
| US-5120716-A | Drug, anionic surfactant and either amphoteric nonionic or semi-polar surfactant containing nitrogen | SHISEIDO COMPANY LTD. (JP) | 1992-06-09 | — | — | US | disclosed |
| EP-0303713-A1 | PERCUTANEOUS ABSORPTION PROMOTER AND DERMATOLOGIC PREPARATION FOR EXTERNAL USE | SHISEIDO COMPANY LIMITED (JP) | 1989-02-22 | — | — | EP | disclosed |