⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17848788 | 1.00 | — | — | |
| SCHEMBL9898590 | 1.00 | — | — | |
| SCHEMBL891473 | 1.00 | — | — | |
| SCHEMBL20608630 | 1.00 | — | — | |
| Ethylene Glycol SCHEMBL28207969 | 0.94 | — | — | |
| Octane SCHEMBL28175827 | 0.90 | CNR2 (0.34) | — | |
| SCHEMBL622691 | 0.80 | — | — | |
| SCHEMBL25183552 | 0.80 | — | — | |
| SCHEMBL23042002 | 0.80 | — | — | |
| SCHEMBL25279854 | 0.75 | — | — |
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-20120148517-A1 | Hair Relaxing and Straightening Compositions | INTERNATIONAL FLORA TECHNOLOGIES, LTD. (US) | 2012-06-14 | — | — | US | disclosed |