⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2045954 | 0.81 | — | — | |
| SCHEMBL1407804 | 0.64 | — | — | |
| SCHEMBL1907911 | 0.63 | ALDH1A1 (0.48) | — | |
| SCHEMBL14388603 | 0.60 | ALDH1A1 (0.42) | — | |
| SCHEMBL4118745 | 0.60 | — | — | |
| SCHEMBL1010227 | 0.60 | TRPV1 (0.38) | — | |
| SCHEMBL277733 | 0.60 | — | — | |
| SCHEMBL6905759 | 0.60 | — | — | |
| SCHEMBL2164875 | 0.60 | TSHR (0.39) | — | |
| SCHEMBL194052 | 0.58 | TSHR (0.44) | — |
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-6677353-B2 | CONTAINING A HALOALKYL GROUP: E.G., 3-((3-(3-TRIFLUOROMETHOXYPHENOXY) PHENYL)((3-(1,1,2,2-TETRAFLUOROETHOXY)PHENYL)METHYL)AMINO)-1,1,1-TRIFLUORO-2-PROPANOL | PHARMACIA CORPORATION | 2004-01-13 | — | — | US | claimed |