⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31325309 | 1.00 | ALDH1A1 (1.00) | — | |
| SCHEMBL264832 | 1.00 | ALDH1A1 (1.00) | — | |
| SCHEMBL30906963 | 1.00 | ALDH1A1 (1.00) | — | |
| SCHEMBL1117292 | 1.00 | ALDH1A1 (1.00) | — | |
| SCHEMBL491198 | 1.00 | ALDH1A1 (1.00) | — | |
| SCHEMBL1117388 | 1.00 | ALDH1A1 (1.00) | — | |
| SCHEMBL1117344 | 1.00 | ALDH1A1 (1.00) | — | |
| SCHEMBL1117329 | 1.00 | ALDH1A1 (1.00) | — | |
| SCHEMBL1117312 | 1.00 | ALDH1A1 (1.00) | — | |
| SCHEMBL30906969 | 1.00 | ALDH1A1 (1.00) | — |
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 632 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114685279-A | Preparation method of short-chain nitroalkane | 南京理工大学 | 2022-07-01 | — | — | CN | claimed |
| CN-114671767-A | Method for synthesizing nitroalkane at low temperature | 南京理工大学 | 2022-06-28 | — | — | CN | claimed |
| CN-104817459-B | The method for generating cyclic aliphatic two-and polyamines for Hydrogenated aromatic two-and polyamines | 科思创德国股份有限公司 | 2019-03-08 | — | — | CN | claimed |
| CN-107072217-A | Long-life animal model and method for prolonging life and inhibiting tumorigenesis | 中央研究院 | 2017-08-18 | — | — | CN | claimed |
| EP-2905272-B1 | Process for hydrogenating aromatic di- and polyamines to cycloaliphatic di- and polyamines | COVESTRO DEUTSCHLAND AG (DE) | 2016-11-23 | — | — | EP | claimed |
| US-9278906-B2 | Process for hydrogenating aromatic di- and polyamines to cycloaliphatic di- and polyamines | BAYER MATERIALSCIENCE AG (DE) | 2016-03-08 | — | — | US | claimed |
| EP-2905272-A1 | Process for hydrogenating aromatic di- and polyamines to cycloaliphatic di- and polyamines | Bayer MaterialScience AG (DE) | 2015-08-12 | — | — | EP | claimed |
| US-20150218083-A1 | PROCESS FOR HYDROGENATING AROMATIC DI- AND POLYAMINES TO CYCLOALIPHATIC DI- AND POLYAMINES | COVESTRO DEUTSCHLAND AG (DE) | 2015-08-06 | — | — | US | claimed |
| CN-104817459-A | Process for hydrogenating aromatic di- and polyamines to cycloaliphatic di- and polyamines | BAYER MATERIALSCIENCE AG | 2015-08-05 | — | — | CN | claimed |
| US-7732534-B2 | Polymers functionalized with nitro compounds | BRIDGESTONE CORPORATION (JP) | 2010-06-08 | — | — | US | claimed |
| WO-1998055437-A1 | CATALYST FOR OXIDATIVE NEF REACTION USING BASIC HYDROGEN PEROXIDE | EASTMAN CHEMICAL COMPANY (US) | 1998-12-10 | — | — | WO | claimed |
| CN-1088777-A | The preparation method that is used for the chemotherapeutic preparation of directly administering to cancer nidus | CONG FANZI (CN) | 1994-07-06 | — | — | CN | claimed |
| EP-0410202-B1 | ADDITIVE FOR LIQUIFIEDGAS-FUEL | Sprügel, Friedrich (DE) | 1992-09-30 | — | — | EP | claimed |
| US-4709107-A | Process for producing nitrones | GENERAL ELECTRIC COMPANY (US) | 1987-11-24 | — | — | US | claimed |
| US-4619861-A | COATING PARTICLES WITH ORGANONITROGEN OR ORGANOSULFUR POLYMER | TDK CORPORATION (JP) | 1986-10-28 | — | — | US | claimed |
| US-4317752-A | POLYURETHANE FOAMS; INSULATION; CONSTRUCTION MATERIALS | BLOUNT DAVID H | 1982-03-02 | — | — | US | claimed |
| US-4280006-A | Process for the production of polyisocyanate silicate plastics utilizing an alkali metal cellulose silicate condensation product | BLOUNT DAVID H | 1981-07-21 | — | — | US | claimed |
| US-4262108-A | FIREPROOF CONSTRUCTION MATERIALS, INSULATION | BLOUNT DAVID H | 1981-04-14 | — | — | US | claimed |
| US-4153764-A | Process for the production of polyisocyanate organic silicate solid/cellular solid product | BLOUNT DAVID H | 1979-05-08 | — | — | US | claimed |
| US-3981831-A | REACTION OF ORGANIC POLYISOCYANATE WITH ALKALI METAL SILICATE OR SILICA SOL | BAYER AKTIENGESELLSCHAFT (DT) | 1976-09-21 | — | — | US | claimed |