⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8837052 | 0.91 | — | — | |
| SCHEMBL9272010 | 0.82 | LMNA (0.33) | — | |
| SCHEMBL8917046 | 0.81 | KCNA3 (0.32) | — | |
| SCHEMBL8017954 | 0.81 | L3MBTL1 (0.33) | — | |
| SCHEMBL8917063 | 0.81 | NPC1 (0.37) | — | |
| SCHEMBL7756311 | 0.80 | — | — | |
| SCHEMBL8448145 | 0.80 | — | — | |
| SCHEMBL7763771 | 0.79 | — | — | |
| SCHEMBL7763775 | 0.79 | — | — | |
| SCHEMBL8944818 | 0.79 | DPP4 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-8081475-A | — | — | None | — | — | JP | disclosed |
| JP-H0881475-A | CYCLOHEXANECARBALDEHYDE COMPOUND AND PRODUCTION OF SILACYCLOHEXANE-TYPE LIQUID CRYSTAL COMPOUND USING THE SAME | SHIN ETSU CHEM CO LTD | 1996-03-26 | — | — | JP | disclosed |