⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22322157 | 0.87 | ALDH1A1 (0.43) | — | |
| SCHEMBL27845842 | 0.84 | ALDH1A1 (0.47) | — | |
| SCHEMBL22856439 | 0.83 | ALDH1A1 (0.39) | — | |
| SCHEMBL9911949 | 0.82 | HTR2C (0.53) | — | |
| Hydrochloric Acid SCHEMBL4148030 | 0.81 | HTR2C (0.51) | — | |
| SCHEMBL23829657 | 0.79 | — | — | |
| SCHEMBL2137245 | 0.79 | ALDH1A1 (0.41) | — | |
| SCHEMBL6719721 | 0.79 | — | — | |
| SCHEMBL16116555 | 0.79 | HTT (0.45) | — | |
| SCHEMBL6719713 | 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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3057617-B1 | NANOPARTICLE-CONTAINING HYDROGELS | AGENCY SCIENCE TECH & RES (SG) | 2020-04-01 | — | — | EP | claimed |
| EP-2773696-B1 | SELF-ASSEMBLED COMPOSITE ULTRASMALL PEPTIDE-POLYMER HYDROGELS | AGENCY SCIENCE TECH & RES (SG) | 2017-07-26 | — | — | EP | claimed |
| EP-2776069-A1 | CARRIER MOLECULE COMPRISING A SPR0096 AND A SPR2021 ANTIGEN | Novartis AG (CH) | 2014-09-17 | — | — | EP | disclosed |
| WO-2013068949-A1 | CARRIER MOLECULE COMPRISING A SPR0096 AND A SPR2021 ANTIGEN | NOVARTIS AG (CH) | 2013-05-16 | — | — | WO | disclosed |
| US-7166341-B2 | of olefinically unsaturated monomers, including esters of dicarboxy acids, onto polyalkylene oxides containing a resin which improves tackiness and compatibility of the adhesive; use in the labelling of recyclable or reuseable hollow containers | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) | 2007-01-23 | — | — | US | disclosed |
| US-20040159394-A1 | of olefinically unsaturated monomers, including esters of dicarboxy acids, onto polyalkylene oxides containing a resin which improves tackiness and compatibility of the adhesive; use in the labelling of recyclable or reuseable hollow containers | PARALLEL WIRELESS, INC. | 2004-08-19 | — | — | US | disclosed |