⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10425292 | 1.00 | — | — | |
| SCHEMBL7191560 | 0.82 | ALDH1A1 (0.30) | — | |
| SCHEMBL7191562 | 0.82 | ALDH1A1 (0.30) | — | |
| SCHEMBL7495299 | 0.78 | ALDH1A1 (0.30) | — | |
| SCHEMBL8182233 | 0.78 | ALDH1A1 (0.30) | — | |
| SCHEMBL3934218 | 0.77 | ADH1B (0.32) | — | |
| SCHEMBL3934229 | 0.77 | ADH1B (0.32) | — | |
| SCHEMBL4337172 | 0.77 | — | — | |
| SCHEMBL14762283 | 0.77 | ADH1B (0.32) | — | |
| SCHEMBL188714 | 0.77 | — | — |
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-0315913-B1 | ANTISEBORRHOIC TOPICAL COMPOSITIONS | Henkel Kommanditgesellschaft auf Aktien (DE) | 1992-06-10 | — | — | EP | disclosed |
| US-4939171-A | Alkyl and alkenyl aryl ether derivatives; cosmetics | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 1990-07-03 | — | — | US | disclosed |