⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10642995 | 0.76 | SLC6A4 (0.33) | — | |
| SCHEMBL8416121 | 0.73 | SLC6A4 (0.38) | — | |
| SCHEMBL468003 | 0.73 | — | — | |
| SCHEMBL4940686 | 0.73 | SLC6A4 (0.38) | — | |
| Trimethylammonium SCHEMBL7199362 | 0.71 | SLC6A4 (0.33) | — | |
| SCHEMBL176316 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL9255979 | 0.70 | — | — | |
| Bromide SCHEMBL28594415 | 0.70 | — | — | |
| SCHEMBL8326058 | 0.69 | — | — | |
| SCHEMBL9446602 | 0.69 | SLC6A4 (0.36) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101524318-B | Volumising hair fixer with ampholytic copolymer | BEIERSDORF AG | 2012-05-23 | — | — | CN | disclosed |
| CN-101617997-A | Volumizing hair fixative | BEIERSDORF AG | 2010-01-06 | — | — | CN | disclosed |
| CN-101524318-A | Volumising hair fixer with ampholytic copolymer | BEIERSDORF AG | 2009-09-09 | — | — | CN | disclosed |