⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11540868 | 0.77 | — | — | |
| SCHEMBL11540866 | 0.77 | — | — | |
| SCHEMBL317737 | 0.71 | — | — | |
| SCHEMBL22418728 | 0.71 | — | — | |
| SCHEMBL13631749 | 0.71 | — | — | |
| SCHEMBL12425174 | 0.71 | — | — | |
| SCHEMBL17453160 | 0.71 | — | — | |
| SCHEMBL12120015 | 0.71 | — | — | |
| SCHEMBL1408033 | 0.71 | — | — | |
| SCHEMBL11025855 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4665252-A | AROMATIZATOIN OF CYCLOHEXENES WITH ACID ZEOLITE | BASF AKTIENGESELLSCHAFT (DE) | 1987-05-12 | — | — | US | claimed |
| JP-5001250-A | — | — | None | — | — | JP | disclosed |
| JP-H051250-A | INGREDIENT FOR COATING COMPOSITION | MITSUI PETROCHEM IND LTD | 1993-01-08 | — | — | JP | disclosed |
| US-4665252-A | AROMATIZATOIN OF CYCLOHEXENES WITH ACID ZEOLITE | BASF AKTIENGESELLSCHAFT (DE) | 1987-05-12 | — | — | US | disclosed |