⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3896262 | 0.83 | — | — | |
| SCHEMBL907613 | 0.82 | TSHR (0.38) | — | |
| SCHEMBL17800112 | 0.78 | TSHR (0.35) | — | |
| SCHEMBL3899928 | 0.78 | TSHR (0.35) | — | |
| Fluoride Ion SCHEMBL9226127 | 0.78 | TSHR (0.35) | — | |
| Bromide SCHEMBL5077793 | 0.78 | TSHR (0.35) | — | |
| SCHEMBL3899926 | 0.78 | TSHR (0.35) | — | |
| Water SCHEMBL907833 | 0.78 | TSHR (0.35) | — | |
| SCHEMBL2835523 | 0.67 | ALDH1A1 (0.40) | — | |
| Tetrylammonium SCHEMBL3886591 | 0.63 | TSHR (0.57) | — |
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-20050044778-A1 | Fuel compositions employing catalyst combustion structure | OCTANE INTERNATIONAL, LTD. | 2005-03-03 | — | — | US | disclosed |
| EP-1051461-A2 | FUEL COMPOSITIONS EMPLOYING CATALYST COMBUSTION STRUCTURE | ORR, William C. (US) | 2000-11-15 | — | — | EP | disclosed |
| WO-1999066009-A2 | FUEL COMPOSITIONS EMPLOYING CATALYST COMBUSTION STRUCTURE | ORR WILLIAM C (US) | 1999-12-23 | — | — | WO | disclosed |