⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24246446 | 0.85 | — | — | |
| SCHEMBL19865788 | 0.84 | — | — | |
| SCHEMBL19035545 | 0.82 | — | — | |
| SCHEMBL20646372 | 0.82 | — | — | |
| SCHEMBL19648676 | 0.79 | — | — | |
| SCHEMBL19139904 | 0.79 | — | — | |
| SCHEMBL21578094 | 0.77 | — | — | |
| SCHEMBL22357670 | 0.73 | — | — | |
| SCHEMBL24491022 | 0.73 | — | — | |
| SCHEMBL20169681 | 0.73 | ALDH1A1 (0.32) | — |
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-10414998-B2 | Organic friction modifiers | HUNTSMAN PETROCHEMICAL LLC (US) | 2019-09-17 | — | — | US | disclosed |
| US-20180023020-A1 | NOVEL ORGANIC FRICTION MODIFIERS | HUNTSMAN PETROCHEMICAL LLC | 2018-01-25 | — | — | US | disclosed |