⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1936538 | 0.94 | — | — | |
| SCHEMBL22537 | 0.94 | — | — | |
| SCHEMBL2153288 | 0.94 | TSHR (1.00) | — | |
| Ammonia Solution, Strong SCHEMBL353938 | 0.89 | — | — | |
| Ammonia Solution, Strong SCHEMBL2316956 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL7988565 | 0.89 | — | — | |
| Methane SCHEMBL8377146 | 0.89 | — | — | |
| SCHEMBL19926086 | 0.89 | TSHR (0.89) | — | |
| SCHEMBL825420 | 0.89 | — | — | |
| Hydrogen Sulfide SCHEMBL5676672 | 0.89 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5931977-A | NONPOLAR, METAL-FREE, CATALYST-FREE MIXTURE COMPRISING METHANOL, BUTANOL, BENZYL ALCOHOL, CYCLOHEXANONE, METHYL ETHYL KETONE, AND SILICONE OIL OR ETHYL SILICATE; FORMS STABLE EMULSION WITH DIESEL FUEL, REDUCES EXHAUST SMOKE | YANG CHUNG-HSIEN (TW) | 1999-08-03 | — | — | US | disclosed |
| US-5688295-A | ALCOHOL, KETONE AND ETHER WITH SILICON COMPOUNDS | H. E. W. D. ENTERPRISES-AMERICA, INC. (US) | 1997-11-18 | — | — | US | disclosed |