⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4666436 | 0.84 | TSHR (0.39) | — | |
| SCHEMBL19885950 | 0.75 | TSHR (0.31) | — | |
| SCHEMBL19523417 | 0.73 | — | — | |
| SCHEMBL28719229 | 0.71 | ALDH1A1 (0.50) | — | |
| SCHEMBL21699059 | 0.70 | — | — | |
| SCHEMBL740669 | 0.69 | TSHR (0.46) | — | |
| SCHEMBL9846069 | 0.69 | ALDH1A1 (0.33) | — | |
| SCHEMBL1004443 | 0.69 | — | — | |
| SCHEMBL5665799 | 0.69 | — | — | |
| SCHEMBL11014970 | 0.69 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4316978-A | Synthesis of substituted cyclopentadienes and cyclopentadiene-functionalized polymers | KENNEDY JOSEPH P | 1982-02-23 | — | — | US | disclosed |
| US-4246373-A | ALUMINUM CYCLOPENTADIENYL COMPOUNDS ENDCAP AND CAN CROSSLINK CHLORO- OR BROMOPOLYMERS | KENNEDY JOSEPH P | 1981-01-20 | — | — | US | disclosed |
| US-4210737-A | Synthesis of substituted cyclopentadienes and cyclopentadiene-functionalized polymers | CASTNER KENNETH F (US) | 1980-07-01 | — | — | US | disclosed |
| US-4138441-A | Synthesis of substituted cyclopentadienes and cyclopentadiene-functionalized polymers | KENNEDY JOSEPH P | 1979-02-06 | — | — | US | disclosed |
| US-3994993-A | CARBENIUM ION MECHANISM, OIL ADDITIVES, MEMBRANES | THE FIRESTONE TIRE & RUBBER COMPANY (US) | 1976-11-30 | — | — | US | disclosed |