⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6813426 | 0.86 | — | — | |
| SCHEMBL1140153 | 0.84 | — | — | |
| SCHEMBL731782 | 0.84 | — | — | |
| SCHEMBL14779193 | 0.81 | — | — | |
| SCHEMBL112037 | 0.81 | — | — | |
| SCHEMBL14777911 | 0.81 | — | — | |
| SCHEMBL1816192 | 0.81 | — | — | |
| SCHEMBL6159241 | 0.81 | — | — | |
| Ammonia Solution, Strong SCHEMBL8960476 | 0.81 | — | — | |
| SCHEMBL1816711 | 0.81 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-55151528-A | — | — | None | — | — | JP | disclosed |
| JP-56025142-A | — | — | None | — | — | JP | disclosed |
| WO-2004046073-A1 | METHOD FOR THE PRODUCTION OF ETHERS | BASF AKTIENGESELLSCHAFT (DE) | 2004-06-03 | — | — | WO | disclosed |
| JP-S5625142-A | PREPARATION OF 1,4-BIS DICYANOMETHYLENE CYCLOHEXANE | FUSO KAGAKU KOGYO KK | 1981-03-10 | — | — | JP | disclosed |
| JP-S55151528-A | PREPARATION OF 1,1,4,4-TETRAMETHOXYCYCLOHEXANE | HIRASHIMA TSUNESUKE | 1980-11-26 | — | — | JP | disclosed |