⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6683115 | 0.82 | — | — | |
| SCHEMBL26251859 | 0.82 | — | — | |
| SCHEMBL12385872 | 0.82 | — | — | |
| SCHEMBL29337299 | 0.78 | SLC1A3 (0.36) | — | |
| SCHEMBL10107071 | 0.78 | JAK2 (0.31) | — | |
| SCHEMBL17253449 | 0.78 | JAK2 (0.31) | — | |
| SCHEMBL131878 | 0.78 | — | — | |
| SCHEMBL17252249 | 0.78 | JAK2 (0.31) | — | |
| SCHEMBL18889361 | 0.77 | SLC1A3 (0.34) | — | |
| SCHEMBL20105229 | 0.77 | SLC1A3 (0.34) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-11071312-A | — | — | None | — | — | JP | disclosed |
| JP-H1171312-A | NEW CYCLOHEXYLALKANOLS AND PERFUME COMPOSITION CONTAINING THE SAME | KAO CORP | 1999-03-16 | — | — | JP | disclosed |