⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13075484 | 0.77 | — | — | |
| SCHEMBL4454211 | 0.77 | — | — | |
| SCHEMBL8263135 | 0.77 | — | — | |
| Propane SCHEMBL11820675 | 0.70 | AKR1B1 (0.46) | — | |
| Cyclohexane SCHEMBL11820318 | 0.68 | AKR1B1 (0.43) | — | |
| SCHEMBL707905 | 0.67 | — | — | |
| SCHEMBL10412966 | 0.67 | — | — | |
| Aziridine SCHEMBL11822128 | 0.67 | AKR1B1 (0.42) | — | |
| SCHEMBL28785195 | 0.65 | — | — | |
| Sulfurous Acid SCHEMBL9484041 | 0.64 | AKR1B1 (0.39) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1992000362-A2 | WATER-CURABLE, HOT MELT ADHESIVE COMPOSITION | EXXON CHEMICAL PATENTS INC. (US) | 1992-01-09 | — | — | WO | disclosed |