⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2480063 | 1.00 | — | — | |
| SCHEMBL107351 | 0.91 | HSD17B10 (0.32) | — | |
| Ammonia Solution, Strong SCHEMBL6309476 | 0.88 | HSD17B10 (0.31) | — | |
| SCHEMBL77435 | 0.85 | — | — | |
| SCHEMBL672313 | 0.84 | TSHR (0.37) | — | |
| SCHEMBL28175118 | 0.84 | TSHR (0.37) | — | |
| Propanol SCHEMBL27293494 | 0.83 | TSHR (0.35) | — | |
| SCHEMBL10714303 | 0.82 | CA12 (0.37) | — | |
| SCHEMBL7162000 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL11109028 | 0.82 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1051461-A2 | FUEL COMPOSITIONS EMPLOYING CATALYST COMBUSTION STRUCTURE | ORR, William C. (US) | 2000-11-15 | — | — | EP | claimed |
| WO-1999066009-A2 | FUEL COMPOSITIONS EMPLOYING CATALYST COMBUSTION STRUCTURE | ORR WILLIAM C (US) | 1999-12-23 | — | — | WO | claimed |