⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6366537 | 0.83 | TSHR (0.43) | — | |
| SCHEMBL5491522 | 0.83 | TSHR (0.43) | — | |
| SCHEMBL23929372 | 0.81 | — | — | |
| SCHEMBL15525764 | 0.78 | — | — | |
| SCHEMBL15962407 | 0.75 | — | — | |
| SCHEMBL29030564 | 0.73 | — | — | |
| SCHEMBL27410024 | 0.73 | ALDH1A1 (0.36) | — | |
| Acetic Acid SCHEMBL7805439 | 0.71 | — | — | |
| SCHEMBL131217 | 0.69 | — | — | |
| SCHEMBL5385556 | 0.69 | ALDH1A1 (0.38) | — |
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-1723420-A | Energy activated electrographic printing process | SAWGRASS TECHNOLOGIES INC F K (US) | 2006-01-18 | — | — | CN | disclosed |
| EP-0602292-B1 | Photocurable polyurethane-acrylate ionomer compositions for aqueous developable printing plates | PT SUB INC (US) | 1997-07-09 | — | — | EP | disclosed |
| EP-0602292-A1 | Photocurable polyurethane-acrylate ionomer compositions for aqueous developable printing plates | PT Sub, Inc. (US) | 1994-06-22 | — | — | EP | disclosed |
| US-5290663-A | Polyethers modified with urethane groups and chain extenders | W. R. GRACE & CO.-CONN. (US) | 1994-03-01 | — | — | US | disclosed |