⚠ 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 | |
|---|---|---|---|---|
| Alcohol SCHEMBL5865885 | 0.89 | — | — | |
| SCHEMBL6637860 | 0.77 | — | — | |
| Potassium Ion SCHEMBL28150499 | 0.75 | — | — | |
| Ethyne SCHEMBL19712680 | 0.69 | — | — | |
| SCHEMBL2967185 | 0.68 | — | — | |
| SCHEMBL5865960 | 0.68 | — | — | |
| SCHEMBL19712629 | 0.67 | ALDH1A1 (0.41) | — | |
| Bicarbonate SCHEMBL19712682 | 0.67 | — | — | |
| SCHEMBL10916855 | 0.67 | — | — | |
| Bicarbonate SCHEMBL5865890 | 0.65 | — | — |
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-7078049-B2 | Ultrafine emulsion containing a haloalkynyl derivative | L'OREAL (FR) | 2006-07-18 | — | — | US | claimed |
| US-20030073689-A1 | Ultrafine emulsion containing a haloalkynyl derivative | L'OREAL (FR) | 2003-04-17 | — | — | US | claimed |