⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7825540 | 0.73 | CYP19A1 (0.33) | — | |
| SCHEMBL16207413 | 0.58 | TET2 (0.34) | — | |
| SCHEMBL30529 | 0.57 | KEAP1 (0.61) | — | |
| SCHEMBL15301307 | 0.57 | ALDH1A1 (0.48) | — | |
| SCHEMBL1921168 | 0.57 | L3MBTL1 (0.51) | — | |
| SCHEMBL1921016 | 0.57 | FFAR1 (0.54) | — | |
| SCHEMBL273086 | 0.57 | TET2 (0.46) | — | |
| SCHEMBL5423386 | 0.55 | PTGS1 (0.43) | — | |
| SCHEMBL1137129 | 0.55 | ESR1 (0.50) | — | |
| SCHEMBL7634724 | 0.55 | FFAR1 (0.44) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5789510-A | HANDLING, FILTERABILITY, FLUID FLOW | HOECHST AKTIENGESELLSCHAFT (DE) | 1998-08-04 | — | — | US | disclosed |