⚠ 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 | |
|---|---|---|---|---|
| Nitroethane SCHEMBL35035 | 0.92 | — | — | |
| Nitroethane SCHEMBL1332217 | 0.92 | — | — | |
| Cyclohexane SCHEMBL1010969 | 0.90 | TSHR (0.69) | — | |
| Nitroethane SCHEMBL27781345 | 0.88 | — | — | |
| Nitroethane SCHEMBL7774447 | 0.88 | — | — | |
| Nitroethane SCHEMBL29866506 | 0.88 | — | — | |
| Nitroethane SCHEMBL27939198 | 0.88 | — | — | |
| Nitroethane SCHEMBL27837876 | 0.85 | TSHR (0.61) | — | |
| Nitroethane SCHEMBL679288 | 0.85 | TSHR (0.85) | — | |
| Nitroethane SCHEMBL11203492 | 0.85 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4575387-A | Process for separating a multi-component gaseous mixture | INSTITUT FRANCAIS DU PETROLE (FR) | 1986-03-11 | — | — | US | claimed |
| US-8344103-B2 | Compatible-multiphase organic solvent system | JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) | 2013-01-01 | — | — | US | disclosed |
| EP-1426101-B1 | COMPATIBLE-MULTIPHASE ORGANIC SOLVENT SYSTEM | JAPAN SCIENCE & TECH AGENCY (JP) | 2011-01-05 | — | — | EP | disclosed |
| US-20070066799-A1 | COMPATIBLE-MULTIPHASE ORGANIC SOLVENT SYSTEM | CHIBA KAZUHIRO | 2007-03-22 | — | — | US | disclosed |
| US-20040214989-A1 | Compatible-multiphase organic solvent system | JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) | 2004-10-28 | — | — | US | disclosed |
| EP-1426101-A1 | COMPATIBLE-MULTIPHASE ORGANIC SOLVENT SYSTEM | Japan Science and Technology Agency (JP) | 2004-06-09 | — | — | EP | disclosed |
| US-5226986-A | Aluminum, oxidizer fluid | BINEX, INC. A UT CORPORATION | 1993-07-13 | — | — | US | disclosed |
| US-4583991-A | NITROETHANE, 2-NITROPROPANE FUEL ADDITIVES | ANGUS CHEMICAL COMPANY (US) | 1986-04-22 | — | — | US | disclosed |
| US-4047987-A | UREA PERCHLORATE | DIRECTOR-GENERAL OF THE AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JA) | 1977-09-13 | — | — | US | disclosed |
| US-3952655-A | Underwater blasting method and explosives and devices used therein | DIRECTOR-GENERAL OF AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JA) | 1976-04-27 | — | — | US | disclosed |