⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29816 | 0.95 | — | — | |
| Fluoride SCHEMBL7996422 | 0.90 | — | — | |
| Fluoride SCHEMBL5035771 | 0.90 | — | — | |
| SCHEMBL19198171 | 0.90 | — | — | |
| Barium SCHEMBL4907529 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL11054970 | 0.90 | LAP3 (0.35) | — | |
| SCHEMBL5615809 | 0.90 | — | — | |
| SCHEMBL9504478 | 0.90 | LAP3 (0.35) | — | |
| SCHEMBL8009121 | 0.90 | — | — | |
| Propane SCHEMBL5395474 | 0.90 | LAP3 (0.35) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110079290-B | Low surface tension viscosity-increasing carboxylate gemini surfactant and preparation method thereof | 长江大学 | 2021-10-29 | — | — | CN | claimed |
| CN-110079290-B | Low surface tension viscosity-increasing carboxylate gemini surfactant and preparation method thereof | 长江大学 | 2021-10-29 | — | — | CN | disclosed |
| CN-110079290-B | Low surface tension viscosity-increasing carboxylate gemini surfactant and preparation method thereof | 长江大学 | 2021-10-29 | — | — | CN | disclosed |
| EP-0640068-B1 | SYNTHESIS OF COSMETIC INGREDIENT | UNILEVER PLC (GB) | 2000-03-08 | — | — | EP | disclosed |
| US-5451691-A | Synthesis of cosmetic ingredients | ELIZABETH ARDEN, CO., DIVISION OF CONOPCO, INC. (US) | 1995-09-19 | — | — | US | disclosed |
| EP-0640068-A1 | SYNTHESIS OF COSMETIC INGREDIENT | UNILEVER PLC (GB) | 1995-03-01 | — | — | EP | disclosed |
| WO-1993022281-A1 | SYNTHESIS OF COSMETIC INGREDIENT | UNILEVER PLC (GB) | 1993-11-11 | — | — | WO | disclosed |