⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL165599 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL791648 | 0.72 | — | — | |
| SCHEMBL11193609 | 0.72 | — | — | |
| SCHEMBL9513156 | 0.70 | — | — | |
| SCHEMBL3347778 | 0.69 | — | — | |
| SCHEMBL28478034 | 0.69 | — | — | |
| SCHEMBL8902693 | 0.69 | CYP2D6 (0.41) | — | |
| SCHEMBL13350919 | 0.65 | — | — | |
| Urea SCHEMBL21815139 | 0.65 | TDP1 (0.36) | — | |
| SCHEMBL21650693 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9586883-B2 | Aldehyde-selective wacker-type oxidation of unbiased alkenes | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2017-03-07 | — | — | US | disclosed |