⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1153 | 1.00 | — | — | |
| SCHEMBL5306546 | 1.00 | LMNA (0.31) | — | |
| Water SCHEMBL5322619 | 0.95 | — | — | |
| Ammonia Solution, Strong SCHEMBL965475 | 0.95 | — | — | |
| Ethane SCHEMBL701580 | 0.95 | — | — | |
| SCHEMBL3473432 | 0.95 | — | — | |
| Bromide SCHEMBL7648010 | 0.95 | — | — | |
| Bromide SCHEMBL7643612 | 0.95 | — | — | |
| Hydrogen Sulfide SCHEMBL20377930 | 0.95 | — | — | |
| Water SCHEMBL1269330 | 0.95 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4130557-A | DIOXANE AND/OR TETRAHYDROFURAN SOLVENT | SHIONOGI & CO., LTD. (JP) | 1978-12-19 | — | — | US | claimed |
| US-4130557-A | DIOXANE AND/OR TETRAHYDROFURAN SOLVENT | SHIONOGI & CO., LTD. (JP) | 1978-12-19 | — | — | US | disclosed |