⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28781149 | 1.00 | — | — | |
| SCHEMBL7872016 | 0.97 | SLC1A3 (0.46) | — | |
| SCHEMBL4738598 | 0.81 | — | — | |
| SCHEMBL636884 | 0.81 | — | — | |
| SCHEMBL16967373 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL6235278 | 0.79 | SLC1A3 (0.54) | — | |
| Hydrochloric Acid SCHEMBL17611605 | 0.79 | SLC1A3 (0.54) | — | |
| SCHEMBL28781104 | 0.79 | SLC1A3 (0.43) | — | |
| SCHEMBL12492435 | 0.79 | — | — | |
| SCHEMBL9261060 | 0.79 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106811491-B | Preparation method of optically active beta-hydroxy ester compound and intermediate thereof | 焦作健康元生物制品有限公司 | 2022-07-19 | — | — | CN | claimed |
| WO-2023174985-A1 | RE-DISPERSIBLE OR RE-SOLUBLE AQUEOUS ETHYLENICALLY UNSATURATED AQUEOUS POLYURETHANE COMPOSITIONS WITH IMPROVED WATER-RESISTANCE | BASF SE (DE) | 2023-09-21 | — | — | WO | disclosed |
| CN-106811491-B | Preparation method of optically active beta-hydroxy ester compound and intermediate thereof | 焦作健康元生物制品有限公司 | 2022-07-19 | — | — | CN | disclosed |
| US-8476369-B2 | Metal salt nanogel-containing polymers | BAYER INNOVATION GMBH (DE) | 2013-07-02 | — | — | US | disclosed |
| US-20100178270-A1 | METAL SALT NANOGEL-CONTAINING POLYMERS | HELLING INNOVATION UG | 2010-07-15 | — | — | US | disclosed |
| WO-2008043853-A2 | PHOTOCHROMIC FILM | OPCO GMBH (DE) | 2008-04-17 | — | — | WO | disclosed |
| EP-0247457-B1 | PROCESS FOR THE PREPARATION OF REAGENT LAYERS CONTAINING HYDROPHOBIC REAGENTS | MILES INC. (US) | 1993-04-07 | — | — | EP | disclosed |
| US-5057276-A | Dissolving ionomeric polymer and reagent in solvent, adding water, and removing solvent | MILES INC. (US) | 1991-10-15 | — | — | US | disclosed |
| US-4840885-A | DYE-RELEASING COMPOUNDS USED IN FORM OF PARTICLES OF IONICALLY-MODIFIED POLYMERS; ANTIFOGGING AGENTS; PHOTOTHERMOGRAPHY | AGFA-GEVAERT AKTIENGESSELLSCHAFT (DE) | 1989-06-20 | — | — | US | disclosed |
| US-4728542-A | POLYURETHANES; WATER VAPOR PERMEABLE COATINGS | BAYER AKTIENGESELLSCHAFT (DE) | 1988-03-01 | — | — | US | disclosed |
| EP-0247457-A2 | Process for the preparation of reagent layers containing hydrophobic reagents | MILES INC. (US) | 1987-12-02 | — | — | EP | disclosed |