⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL910630 | 0.67 | — | — | |
| SCHEMBL11497934 | 0.64 | — | — | |
| SCHEMBL2690654 | 0.64 | — | — | |
| SCHEMBL21523570 | 0.62 | — | — | |
| SCHEMBL3674321 | 0.58 | — | — | |
| SCHEMBL18156622 | 0.58 | — | — | |
| SCHEMBL959053 | 0.58 | — | — | |
| SCHEMBL1349037 | 0.58 | — | — | |
| SCHEMBL22589962 | 0.57 | ESR1 (0.35) | — | |
| SCHEMBL21328389 | 0.55 | POLB (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0266848-B1 | ESTER COMPOUND LUBRICANTS | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1991-02-13 | — | — | EP | disclosed |