⚠ 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 | |
|---|---|---|---|---|
| Ethane SCHEMBL10975138 | 0.94 | — | — | |
| SCHEMBL22719 | 0.93 | — | — | |
| SCHEMBL9449720 | 0.86 | ALDH1A1 (0.42) | — | |
| SCHEMBL17459063 | 0.86 | — | — | |
| Isopropylamine SCHEMBL5759914 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL3382668 | 0.86 | — | — | |
| SCHEMBL27549982 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL6209209 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL7523857 | 0.86 | — | — | |
| Water SCHEMBL6358401 | 0.86 | — | — |
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-20030153787-A1 | Esters of alkyl or alkenyl succinic acids with polyalkylene oxide derivatives of polyhydroxyl compounds have very useful thickening and or dispersant properties; cosmetics; detergent for shampoos, particularly for baby shampoos; emulsifiers | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 2003-08-14 | — | — | US | disclosed |