⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11433847 | 0.91 | ALDH1A1 (0.68) | — | |
| SCHEMBL3263012 | 0.85 | — | — | |
| SCHEMBL23200419 | 0.83 | ALDH1A1 (0.57) | — | |
| SCHEMBL7652577 | 0.83 | ALDH1A1 (0.57) | — | |
| SCHEMBL6970638 | 0.81 | — | — | |
| SCHEMBL7771166 | 0.79 | ALDH1A1 (0.53) | — | |
| SCHEMBL22092279 | 0.79 | — | — | |
| SCHEMBL1478715 | 0.79 | — | — | |
| SCHEMBL11685501 | 0.79 | ALDH1A1 (0.64) | — | |
| SCHEMBL1110725 | 0.79 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105585601-A | Anti-aging skin external composition and preparation method thereof | HAYASHIBARA CO | 2016-05-18 | — | — | CN | disclosed |
| US-20140171496-A1 | COMPOSITION AND METHOD FOR PROMOTING HAIR GROWTH | R-TECH UENO, LTD. (JP) | 2014-06-19 | — | — | US | disclosed |