⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1066043 | 0.72 | — | — | |
| SCHEMBL1533512 | 0.72 | — | — | |
| SCHEMBL11035979 | 0.67 | — | — | |
| SCHEMBL168340 | 0.67 | — | — | |
| SCHEMBL3417121 | 0.65 | — | — | |
| SCHEMBL10358052 | 0.63 | CPA1 (0.31) | — | |
| SCHEMBL902747 | 0.62 | TSHR (0.33) | — | |
| SCHEMBL8095138 | 0.61 | ALDH1A1 (0.38) | — | |
| SCHEMBL1062632 | 0.60 | — | — | |
| SCHEMBL7678333 | 0.60 | — | — |
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-20050244353-A1 | Method for achieving shape memory effects on hair by combining shape memory polymers with cationic active ingredients | MNEMOSCIENCE GMBH (DE) | 2005-11-03 | — | — | US | disclosed |