⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1732306 | 0.84 | — | — | |
| Trifluoromethanesulfonic Acid SCHEMBL30310270 | 0.80 | — | — | |
| Trifluoromethanesulfonic Acid SCHEMBL5616263 | 0.73 | ALOX15 (0.37) | — | |
| Trifluoromethanesulfonic Acid SCHEMBL5177368 | 0.72 | F2 (0.38) | — | |
| Trifluoromethanesulfonic Acid SCHEMBL5616020 | 0.70 | ALOX15 (0.42) | — | |
| Trifluoromethanesulfonic Acid SCHEMBL17510357 | 0.69 | CA1 (0.35) | — | |
| Trifluoromethanesulfonic Acid SCHEMBL30310274 | 0.69 | F2 (0.35) | — | |
| SCHEMBL28529701 | 0.69 | ALDH1A1 (0.31) | — | |
| Trifluoromethanesulfonic Acid SCHEMBL2670016 | 0.69 | CA1 (0.42) | — | |
| Trifluoromethanesulfonic Acid SCHEMBL6830099 | 0.67 | CA1 (0.36) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2007006418-A1 | IONIC-LIQUID-CONTAINING PRODUCTS FOR DYEING AND/OR BRIGHTENING KERATIN FIBRES | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 2007-01-18 | — | — | WO | claimed |
| WO-2006131234-A1 | COSMETIC COMPOSITIONS COMPRISING IONIC LIQUIDS | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 2006-12-14 | — | — | WO | claimed |
| US-20100048327-A1 | Highly-Neutralized Golf Ball Compositions | ACUSHNET COMPANY | 2010-02-25 | — | — | US | disclosed |
| WO-2006131234-A1 | COSMETIC COMPOSITIONS COMPRISING IONIC LIQUIDS | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 2006-12-14 | — | — | WO | disclosed |