⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10824942 | 0.78 | ALDH1A1 (0.39) | — | |
| SCHEMBL18213901 | 0.75 | — | — | |
| SCHEMBL22359156 | 0.71 | — | — | |
| SCHEMBL8680933 | 0.71 | — | — | |
| SCHEMBL12655279 | 0.71 | — | — | |
| SCHEMBL10704275 | 0.71 | — | — | |
| SCHEMBL11229182 | 0.68 | — | — | |
| SCHEMBL7639036 | 0.67 | ALDH1A1 (0.46) | — | |
| SCHEMBL12517401 | 0.67 | — | — | |
| SCHEMBL14217520 | 0.67 | — | — |
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-2012009688-A1 | ORGANIC COMPOUNDS | ROCKEFELLER UNIVERSITY (US) | 2012-01-19 | — | — | WO | disclosed |