⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11761300 | 0.96 | — | — | |
| SCHEMBL1079757 | 0.77 | — | — | |
| SCHEMBL5197508 | 0.69 | — | — | |
| SCHEMBL8043393 | 0.69 | — | — | |
| SCHEMBL10496355 | 0.67 | — | — | |
| SCHEMBL7177724 | 0.67 | ALDH1A1 (0.35) | — | |
| SCHEMBL20656 | 0.67 | TSHR (0.43) | — | |
| SCHEMBL11070461 | 0.67 | ALDH1A1 (0.35) | — | |
| SCHEMBL7549527 | 0.67 | TSHR (0.43) | — | |
| SCHEMBL2578714 | 0.67 | ALDH1A1 (0.31) | — |
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-7371318-B2 | Method and catalysts for the elimination of sulphur compounds from the diesel fraction | CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) | 2008-05-13 | — | — | US | disclosed |
| US-20040140247-A1 | Method and catalysts for the elimination of sulphur compounds from the diesel fraction | UNIVESIDAD POLITECNICA DE VALENCIA (ES) | 2004-07-22 | — | — | US | disclosed |
| EP-1391497-A1 | METHOD AND CATALYSTS FOR THE ELIMINATION OF SULFUR COMPOUNDS FROM THE DIESEL FRACTION | CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) | 2004-02-25 | — | — | EP | disclosed |
| WO-1996008211-A2 | PLASMA GRAFTING METHODS AND COMPOUNDS | SURFACE ENGINEERING TECHNOLOGIES, DIVISION OF INNERDYNE, INC. (US) | 1996-03-21 | — | — | WO | disclosed |
| US-4064155-A | FROM A CHLOROALKYL-SILANEDI- OR TRIOL AND AN AMINE, VOLATILIZATION | DOW CORNING CORPORATION (US) | 1977-12-20 | — | — | US | disclosed |