⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19852089 | 0.85 | SLC1A3 (0.34) | — | |
| SCHEMBL14701571 | 0.85 | SLC1A3 (0.34) | — | |
| SCHEMBL19851970 | 0.85 | SLC1A3 (0.34) | — | |
| SCHEMBL14701569 | 0.76 | MMP1 (0.36) | — | |
| SCHEMBL14701568 | 0.76 | MMP1 (0.36) | — | |
| SCHEMBL19851975 | 0.70 | CYP4F2 (0.36) | — | |
| SCHEMBL12120675 | 0.70 | — | — | |
| SCHEMBL19852090 | 0.67 | DGAT1 (0.31) | — | |
| SCHEMBL19851976 | 0.67 | DGAT1 (0.31) | — | |
| SCHEMBL22348975 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10640725-B2 | Thermocleavable friction modifiers and methods thereof | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2020-05-05 | — | — | US | disclosed |
| US-20180037840-A1 | THERMOCLEAVABLE FRICTION MODIFIERS AND METHODS THEREOF | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2018-02-08 | — | — | US | disclosed |