⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5227550 | 0.82 | — | — | |
| SCHEMBL3916804 | 0.79 | P2RX7 (0.34) | — | |
| SCHEMBL4739774 | 0.78 | — | — | |
| SCHEMBL238092 | 0.76 | — | — | |
| SCHEMBL2106683 | 0.76 | — | — | |
| SCHEMBL17844294 | 0.74 | TAS2R38 (0.43) | — | |
| SCHEMBL3080784 | 0.74 | — | — | |
| SCHEMBL3328286 | 0.72 | — | — | |
| SCHEMBL11327636 | 0.72 | — | — | |
| SCHEMBL4740303 | 0.72 | ALDH1A1 (0.35) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5387657-A | Liquid crystal polymers; high glass transition temperatures; enhanced unidirectional mechanical properties; coatings, castings, encapsulation, lamination, composites, molding materials | THE DOW CHEMICAL COMPANY (US) | 1995-02-07 | — | — | US | disclosed |
| WO-1994025501-A1 | EPOXY RESINS CONTAINING THIADIAZOLE AND/OR OXADIAZOLE MOIETIES | THE DOW CHEMICAL COMPANY (US) | 1994-11-10 | — | — | WO | disclosed |
| US-5290887-A | Liquid crystal polymers for coatings, castings, encapsulation, electronics or laminates | THE DOW CHEMICAL COMPANY (US) | 1994-03-01 | — | — | US | disclosed |