⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25633729 | 0.86 | EPHX1 (0.33) | — | |
| SCHEMBL25098209 | 0.86 | EPHX1 (0.33) | — | |
| SCHEMBL19053503 | 0.76 | CHRM2 (0.42) | — | |
| SCHEMBL21256966 | 0.74 | EPHX1 (0.41) | — | |
| SCHEMBL21256965 | 0.73 | EPHX1 (0.37) | — | |
| SCHEMBL17995470 | 0.72 | MEN1 (0.40) | — | |
| SCHEMBL23060133 | 0.65 | — | — | |
| SCHEMBL31635496 | 0.64 | NAAA (0.40) | — | |
| SCHEMBL19954392 | 0.61 | EPHX1 (0.31) | — | |
| SCHEMBL12065392 | 0.61 | HSD11B1 (0.34) | — |
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-11286441-B2 | Anti-wear composition for lubricants | LANXESS CORPORATION (US) | 2022-03-29 | — | — | US | disclosed |
| US-20210040411-A1 | Anti-Wear Composition for Lubricants | LANXESS SOLUTIONS US INC. (US) | 2021-02-11 | — | — | US | disclosed |