⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL190528 | 0.93 | — | — | |
| SCHEMBL29070163 | 0.86 | — | — | |
| SCHEMBL2919049 | 0.86 | — | — | |
| Ammonia Solution, Strong SCHEMBL9929362 | 0.86 | — | — | |
| SCHEMBL6681063 | 0.86 | — | — | |
| SCHEMBL11231319 | 0.86 | — | — | |
| SCHEMBL9773900 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL4595651 | 0.86 | — | — | |
| Cyclohexane SCHEMBL5685318 | 0.76 | — | — | |
| Propane SCHEMBL8762642 | 0.76 | — | — |
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-4311850-A | Preparation of higher muconic acid monesters | ALLIED CORPORATION (US) | 1982-01-19 | — | — | US | disclosed |
| US-4208341-A | Copper (II) reagent and preparation thereof | ALLIED CHEMICAL CORPORATION (US) | 1980-06-17 | — | — | US | disclosed |