⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2878997 | 0.82 | — | — | |
| SCHEMBL12203302 | 0.80 | — | — | |
| SCHEMBL9335739 | 0.78 | ALDH1A1 (0.54) | — | |
| SCHEMBL7579999 | 0.78 | GAA (0.45) | — | |
| SCHEMBL7656664 | 0.78 | ALDH1A1 (0.43) | — | |
| SCHEMBL8193236 | 0.75 | — | — | |
| SCHEMBL5674142 | 0.75 | — | — | |
| SCHEMBL10785356 | 0.75 | ALDH1A1 (0.57) | — | |
| SCHEMBL3074569 | 0.75 | — | — | |
| SCHEMBL14471768 | 0.75 | ALDH1A1 (0.57) | — |
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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111410677-B | 2-methoxyestramustine and derivatives, preparation method and application thereof | 周亚耀 | 2023-05-30 | — | — | CN | claimed |
| CN-111410677-A | 2-methoxy estramustine and derivatives, preparation method and application thereof | 周亚耀 | 2020-07-14 | — | — | CN | claimed |
| CN-118221639-A | N-substituted phenylpyrazole derivative and preparation and application thereof | 顺毅股份有限公司 | 2024-06-21 | — | — | CN | disclosed |
| CN-111410677-B | 2-methoxyestramustine and derivatives, preparation method and application thereof | 周亚耀 | 2023-05-30 | — | — | CN | disclosed |
| CN-112203758-B | Carrier for adsorbing organic substances | 东丽株式会社 | 2022-12-23 | — | — | CN | disclosed |
| CN-109562219-B | Material for purifying blood | 东丽株式会社 | 2021-05-18 | — | — | CN | disclosed |
| CN-108026026-B | Beta-substituted beta-amino acids and analogs as chemotherapeutic agents and uses thereof | 夸德里加生物科学公司 | 2021-02-09 | — | — | CN | disclosed |
| CN-112203758-A | Carrier for adsorbing organic substances | 东丽株式会社 | 2021-01-08 | — | — | CN | disclosed |
| CN-111410677-A | 2-methoxy estramustine and derivatives, preparation method and application thereof | 周亚耀 | 2020-07-14 | — | — | CN | disclosed |
| CN-106132406-B | β -substituted gamma-amino acids and analogs as chemotherapeutic agents | 夸德里加生物科学公司 | 2020-03-27 | — | — | CN | disclosed |
| WO-2020026698-A1 | CARRIER FOR ADSORBING ORGANIC MATTER | 東レ株式会社 | 2020-02-06 | — | — | WO | disclosed |
| WO-1998008839-A1 | COMBINATORIAL PROCESS FOR PREPARING SUBSTITUTED THIOPHENE LIBRARIES | ELI LILLY AND COMPANY (US) | 1998-03-05 | — | — | WO | disclosed |
| WO-1998008813-A1 | COMBINATORIAL PROCESS FOR PREPARING SUBSTITUTED PYRROLIDINE LIBRARIES | ELI LILLY AND COMPANY (US) | 1998-03-05 | — | — | WO | disclosed |
| EP-0825164-A2 | Scavenger assisted combinatorial process for preparing libraries of amides, carbamates and sulfonamides | ELI LILLY AND COMPANY (US) | 1998-02-25 | — | — | EP | disclosed |
| US-5710311-A | 2-sulphured metaphenylenediamines for dyeing hair | L'OREAL (FR) | 1998-01-20 | — | — | US | disclosed |
| WO-1997026300-A1 | COMBINATORIAL PROCESS FOR PREPARING SUBSTITUTED INDANE LIBRARIES | ELI LILLY AND COMPANY (US) | 1997-07-24 | — | — | WO | disclosed |
| US-5505741-A | DYEING HAIR BY OXIDATION, RINSING, WASHING WITH SHAMPOO, RINSING AND DRYING | L'OREAL (FR) | 1996-04-09 | — | — | US | disclosed |
| US-4314948-A | Preparation of mixtures of 1-monohalogenated isocyanates and 1,2-unsaturated isocyanates | BASF AKTIENGESELLSCHAFT (DE) | 1982-02-09 | — | — | US | disclosed |
| US-4231952-A | Process for the production of monoisocyanate | BAYER AKTIENGESELLSCHAFT (DE) | 1980-11-04 | — | — | US | disclosed |
| US-3937824-A | COMPOSITIONS AND METHODS OF KILLING INSECTS AND ACARIDS USING ALKOXYIMINO CARBAMOYLOXY PHOSPHORUS COMPOUNDS | VELSICOL CHEMICAL CORPORATION (US) | 1976-02-10 | — | — | US | disclosed |