⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL164963 | 0.82 | — | — | |
| SCHEMBL158890 | 0.81 | AKR1C3 (0.31) | — | |
| SCHEMBL725687 | 0.80 | — | — | |
| SCHEMBL7058113 | 0.72 | AKR1C3 (0.32) | — | |
| SCHEMBL4308298 | 0.71 | GABRP (0.34) | — | |
| SCHEMBL3360268 | 0.70 | PTGS1 (0.32) | — | |
| SCHEMBL2716961 | 0.70 | PTGS1 (0.32) | — | |
| SCHEMBL17309773 | 0.69 | — | — | |
| Propylene Glycol SCHEMBL2059788 | 0.69 | TDP1 (0.39) | — | |
| Propylene Glycol SCHEMBL5148435 | 0.69 | TDP1 (0.39) | — |
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-0351943-B1 | PROCESS FOR PRODUCING SOLID RESILIENT POLYMER PARTICLES WITH OPEN PORES | Advanced Polymer Systems, Inc. (US) | 1992-12-30 | — | — | EP | claimed |