⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11116456 | 0.75 | — | — | |
| SCHEMBL3422564 | 0.72 | — | — | |
| SCHEMBL2263619 | 0.72 | — | — | |
| SCHEMBL6668186 | 0.69 | — | — | |
| SCHEMBL8010231 | 0.69 | — | — | |
| SCHEMBL169597 | 0.69 | — | — | |
| SCHEMBL3420050 | 0.67 | — | — | |
| SCHEMBL421978 | 0.65 | — | — | |
| SCHEMBL25304436 | 0.65 | — | — | |
| SCHEMBL17163935 | 0.63 | — | — |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110982044-A | MDI-based isocyanate-terminated prepolymers and polyurethane foams prepared therefrom | 万华化学集团股份有限公司 | 2020-04-10 | — | — | CN | claimed |
| EP-1034775-B1 | Hair-wash | GOLDWELL GMBH (DE) | 2001-11-14 | — | — | EP | claimed |
| CN-110982044-B | MDI-based isocyanate-terminated prepolymers and polyurethane foams prepared therefrom | 万华化学集团股份有限公司 | 2021-12-14 | — | — | CN | disclosed |
| CN-110982044-A | MDI-based isocyanate-terminated prepolymers and polyurethane foams prepared therefrom | 万华化学集团股份有限公司 | 2020-04-10 | — | — | CN | disclosed |
| US-20070191567-A1 | POLYURETHANE RESIN AND METHOD FOR PRODUCING POLYURETHANE RESIN SOLUTION | ASAHI GLASS COMPANY, LIMITED (JP) | 2007-08-16 | — | — | US | disclosed |
| EP-1803757-A1 | POLYURETHANE RESIN AND PROCESS FOR PRODUCING POLYURETHANE RESIN SOLUTION | Asahi Glass Company, Limited (JP) | 2007-07-04 | — | — | EP | disclosed |
| US-5711896-A | Polyoxyalkylene glycol lubricating oils, working fluid compositions and methods of lubricating | JAPAN ENERGY CORPORATION (JP) | 1998-01-27 | — | — | US | disclosed |
| EP-0652278-A2 | Lubricating oils for fluorinated hydrocarbon-based refrigerant type compressor, lubricating method for a such compressor, and working fluid compositions containing said lubricating oils for compressor | JAPAN ENERGY CORPORATION (JP) | 1995-05-10 | — | — | EP | disclosed |
| US-5306435-A | Dimensional stability, shrinkage inhibition during washing | NIHON JUNYAKU CO., LTD. (JP) | 1994-04-26 | — | — | US | disclosed |
| US-5072020-A | Reacting nitroalcohol with isocyanate; catalytic hydrogenation | TEXACO CHEMICAL COMPANY (US) | 1991-12-10 | — | — | US | disclosed |
| EP-0448237-A2 | Aliphatic polyamines from polynitro compounds | TEXACO CHEMICAL COMPANY (US) | 1991-09-25 | — | — | EP | disclosed |
| US-4847380-A | High molecular weight polyalkoxyamide, urea or urethane-containing piperidine radical | TEXACO INC. (US) | 1989-07-11 | — | — | US | disclosed |
| EP-0301705-A2 | High molecular weight polyalkoxyamide, urea or urethane-containing piperidine radical | TEXACO DEVELOPMENT CORPORATION (US) | 1989-02-01 | — | — | EP | disclosed |
| US-4302547-A | BY REACTING SYNTHESIS GAS IN THE PRESENCE OF A RHODIUM CARBONYL COMPLEX CATALYST | UNION CARBIDE CORPORATION (US) | 1981-11-24 | — | — | US | disclosed |
| US-4188335-A | SUBSTITUTED GAMMA-BUTYROLACTONE AS SOLVENT | UNION CARBIDE CORPORATION (US) | 1980-02-12 | — | — | US | disclosed |