⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1777394 | 0.90 | — | — | |
| SCHEMBL18194653 | 0.85 | — | — | |
| SCHEMBL14431553 | 0.83 | — | — | |
| SCHEMBL16177571 | 0.82 | CA2 (0.35) | — | |
| SCHEMBL19812547 | 0.81 | — | — | |
| SCHEMBL26947095 | 0.81 | — | — | |
| SCHEMBL1505680 | 0.81 | — | — | |
| SCHEMBL2528783 | 0.81 | — | — | |
| SCHEMBL18196809 | 0.80 | — | — | |
| SCHEMBL28530995 | 0.79 | — | — |
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 3 patents. 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 |
| US-20150291658-A1 | NOVEL CHONDRAMIDE DERIVATIVES | HELMOLTZ-ZENTRUM FÜR INFEKTIONSFORSCHUNG (DE) | 2015-10-15 | — | — | US | disclosed |
| US-20140316149-A1 | ALDEHYDE-SELECTIVE WACKER-TYPE OXIDATION OF UNBIASED ALKENES | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2014-10-23 | — | — | US | disclosed |