⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12126630 | 0.91 | — | — | |
| SCHEMBL215748 | 0.87 | AKT1 (0.31) | — | |
| Benzene SCHEMBL28227263 | 0.83 | MEN1 (0.32) | — | |
| SCHEMBL215615 | 0.77 | LMNA (0.33) | — | |
| SCHEMBL14778426 | 0.76 | — | — | |
| SCHEMBL878491 | 0.76 | — | — | |
| SCHEMBL17269266 | 0.74 | LMNA (0.36) | — | |
| SCHEMBL19078596 | 0.74 | — | — | |
| SCHEMBL17269118 | 0.74 | LMNA (0.36) | — | |
| SCHEMBL14321136 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-118159258-A | Composition containing caryophyllene | 三生医药株式会社 | 2024-06-07 | — | — | CN | disclosed |
| EP-0278020-B1 | 2-SUBSTITUTED 4,4,7,7-TETRAMETHYL-1,3-DIOXACYCLOHEPTANES, THEIR PREPARATION AND USE AS PARFUMES | BASF Aktiengesellschaft (DE) | 1989-05-24 | — | — | EP | disclosed |