⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4570466 | 0.74 | TSHR (0.32) | — | |
| SCHEMBL18214904 | 0.74 | TSHR (0.32) | — | |
| SCHEMBL29743191 | 0.73 | LMNA (0.30) | — | |
| SCHEMBL29404905 | 0.72 | — | — | |
| SCHEMBL15700202 | 0.70 | — | — | |
| SCHEMBL29760667 | 0.68 | — | — | |
| SCHEMBL406260 | 0.68 | — | — | |
| SCHEMBL1470785 | 0.68 | — | — | |
| SCHEMBL5165029 | 0.68 | — | — | |
| SCHEMBL14762028 | 0.68 | LMNA (0.33) | — |
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-5298083-A | Exposure of substrate to solvent | ALLIEDSIGNAL INC. (US) | 1994-03-29 | — | — | US | disclosed |
| US-5275669-A | Degreasing glass, metal, plastic and fiber surfaces | ALLIEDSIGNAL INC. (US) | 1994-01-04 | — | — | US | disclosed |