⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27117131 | 0.82 | — | — | |
| SCHEMBL2149050 | 0.82 | — | — | |
| SCHEMBL6419144 | 0.80 | USP2 (0.41) | — | |
| SCHEMBL32684282 | 0.79 | USP2 (0.40) | — | |
| SCHEMBL4983188 | 0.79 | USP2 (0.40) | — | |
| SCHEMBL11024768 | 0.77 | USP2 (0.39) | — | |
| SCHEMBL1711904 | 0.77 | USP2 (0.46) | — | |
| SCHEMBL1711900 | 0.77 | USP2 (0.46) | — | |
| SCHEMBL1711899 | 0.77 | USP2 (0.46) | — | |
| SCHEMBL9708962 | 0.76 | — | — |
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-6130195-A | TETRAHYDROFURFURYL ALCOHOL AND 3-METHOXY-3-METHYL BUTANOL. | KYZEN CORPORATION (US) | 2000-10-10 | — | — | US | disclosed |