⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17273522 | 0.81 | — | — | |
| SCHEMBL133347 | 0.79 | CA12 (0.32) | — | |
| SCHEMBL7783304 | 0.77 | ALDH1A1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL3268470 | 0.76 | DNM1 (0.37) | — | |
| Dodecane SCHEMBL28107387 | 0.73 | TSHR (0.42) | — | |
| SCHEMBL28256904 | 0.72 | — | — | |
| SCHEMBL3282416 | 0.71 | CA12 (0.32) | — | |
| SCHEMBL6050227 | 0.70 | ALDH1A1 (0.31) | — | |
| SCHEMBL2550844 | 0.70 | CA12 (0.31) | — | |
| SCHEMBL500685 | 0.70 | ALDH1A1 (0.33) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20070292383-A1 | Use of Surfactant Systems for Reducing Skin-Intrinsic Enzyme Damage | BEIERSDORF AG (DE) | 2007-12-20 | — | — | US | disclosed |