⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9421338 | 0.77 | ESR1 (0.44) | — | |
| SCHEMBL28640086 | 0.76 | — | — | |
| SCHEMBL23053790 | 0.75 | KCNH2 (0.33) | — | |
| SCHEMBL18910511 | 0.74 | — | — | |
| SCHEMBL30060412 | 0.74 | — | — | |
| SCHEMBL9460145 | 0.74 | — | — | |
| SCHEMBL17865370 | 0.74 | KCNH2 (0.41) | — | |
| SCHEMBL10714479 | 0.74 | — | — | |
| SCHEMBL440676 | 0.74 | — | — | |
| SCHEMBL23043424 | 0.74 | FPR2 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1827400-A2 | TOPICAL SKIN PATCH CONTAINING XANTHOPHYLLS | Nu-Tein Co., Inc. (US) | 2007-09-05 | — | — | EP | disclosed |
| WO-2006062740-A2 | TOPICAL SKIN PATCH CONTAINING XANTHOPHYLLS | NU-TEIN CO., INC. (US) | 2006-06-15 | — | — | WO | disclosed |