⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21581156 | 0.94 | OPRM1 (0.57) | — | |
| SCHEMBL22838164 | 0.94 | OPRM1 (0.57) | — | |
| SCHEMBL14269990 | 0.92 | OPRM1 (0.44) | — | |
| SCHEMBL19733406 | 0.92 | OPRM1 (0.55) | — | |
| SCHEMBL11242677 | 0.84 | TP53 (0.59) | — | |
| SCHEMBL19293365 | 0.84 | — | — | |
| SCHEMBL28578525 | 0.84 | — | — | |
| SCHEMBL424751 | 0.84 | — | — | |
| SCHEMBL3914418 | 0.84 | — | — | |
| SCHEMBL317886 | 0.84 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6187938-B1 | TRANSDERMAL PENETRATION ENHANCERS | BOCHEMIE, S.R.O. (CZ) | 2001-02-13 | — | — | US | disclosed |
| CN-1019312-B | Fuel additive containing metal compound and oxime and fuel composition thereof | LUBRIZOL CORP (US) | 1992-12-02 | — | — | CN | disclosed |
| CN-86106275-A | The fuel dope and the fuel composition thereof that contain metallic compound and oxime | — | 1987-05-13 | — | — | CN | disclosed |