⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18735506 | 1.00 | — | — | |
| SCHEMBL6245996 | 1.00 | — | — | |
| SCHEMBL15944219 | 0.76 | — | — | |
| SCHEMBL25676631 | 0.69 | ALDH1A1 (0.36) | — | |
| SCHEMBL23720719 | 0.69 | ALDH1A1 (0.31) | — | |
| SCHEMBL4280659 | 0.69 | — | — | |
| SCHEMBL13931347 | 0.67 | — | — | |
| SCHEMBL28085573 | 0.67 | — | — | |
| SCHEMBL288917 | 0.67 | — | — | |
| SCHEMBL6221377 | 0.67 | MEN1 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019051489-A1 | COMPOUNDS, COMPOSITIONS, AND METHODS FOR THE TREATMENT OF DISEASE | SPEROVIE BIOSCIENCES, INC. (US) | 2019-03-14 | — | — | WO | disclosed |
| WO-2013067646-A1 | PROCESS FOR THE SYNTHESIS OF BETA-AMINOCARBONYLS | UNIVERSITY OF OTTAWA (CA) | 2013-05-16 | — | — | WO | disclosed |