⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17183622 | 0.79 | — | — | |
| SCHEMBL740669 | 0.76 | TSHR (0.46) | — | |
| SCHEMBL5344686 | 0.72 | — | — | |
| SCHEMBL10493960 | 0.71 | — | — | |
| SCHEMBL11432154 | 0.71 | — | — | |
| SCHEMBL4666436 | 0.69 | TSHR (0.39) | — | |
| SCHEMBL5984121 | 0.69 | — | — | |
| SCHEMBL21490 | 0.69 | — | — | |
| SCHEMBL18748 | 0.69 | — | — | |
| SCHEMBL6141549 | 0.67 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1079610-A | Plant fungicide compositions | DOW CHEMICAL CO (US) | 1993-12-22 | — | — | CN | disclosed |
| CN-1022838-C | Morpholinyl silanes, process for their preparation and their use | DOW CHEMICAL CO (US) | 1993-11-24 | — | — | CN | disclosed |
| CN-1040028-A | Morpholinyl silanes, process for their preparation and their use | DOW CHEMICAL CO (US) | 1990-02-28 | — | — | CN | disclosed |
| EP-0084775-A1 | 13-Thia-prostacyclines | MERCK PATENT GmbH (DE) | 1983-08-03 | — | — | EP | disclosed |