⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8675546 | 1.00 | — | — | |
| SCHEMBL5494343 | 0.82 | ALDH1A1 (0.31) | — | |
| SCHEMBL17239402 | 0.72 | ALDH1A1 (0.31) | — | |
| SCHEMBL17239403 | 0.72 | ALDH1A1 (0.31) | — | |
| SCHEMBL373241 | 0.65 | — | — | |
| SCHEMBL1133524 | 0.64 | — | — | |
| SCHEMBL21328514 | 0.60 | ALDH1A1 (0.52) | — | |
| SCHEMBL21328512 | 0.60 | ALDH1A1 (0.52) | — | |
| SCHEMBL17239392 | 0.60 | NOS3 (0.30) | — | |
| SCHEMBL17239391 | 0.60 | NOS3 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5759528-A | AMINE OXIDE SURFACTANT AND CYCLOHEXANE, CYCLOHEXENE OR CYCLOHEXANONE DERIVATIVE | INSTITUTE FOR ADVANCED SKIN RESEARCH, INC. (JP) | 1998-06-02 | — | — | US | disclosed |
| EP-0745389-A1 | COMPOSITION FOR TOPICAL APPLICATION | INSTITUTE FOR ADVANCED SKIN RESEARCH INC. (JP) | 1996-12-04 | — | — | EP | disclosed |