⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29283240 | 0.80 | MAOA (0.35) | — | |
| SCHEMBL20477699 | 0.76 | TSHR (0.42) | — | |
| SCHEMBL31251596 | 0.74 | TSHR (0.43) | — | |
| SCHEMBL2144679 | 0.74 | — | — | |
| SCHEMBL9630603 | 0.74 | — | — | |
| SCHEMBL327799 | 0.74 | TSHR (0.43) | — | |
| SCHEMBL20477815 | 0.74 | TSHR (0.38) | — | |
| SCHEMBL4121654 | 0.72 | — | — | |
| SCHEMBL1098772 | 0.69 | TSHR (0.50) | — | |
| Fluoride SCHEMBL31607698 | 0.67 | TSHR (0.48) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3303328-B1 | AMINOESTER DERIVATIVES | CHIESI FARM SPA (IT) | 2019-03-20 | — | — | EP | claimed |
| EP-3152201-B1 | AMINOESTER DERIVATIVES | CHIESI FARM SPA (IT) | 2018-08-29 | — | — | EP | claimed |
| EP-1036062-B1 | HYDROXAMIC ACID DERIVATIVES AS MATRIX METALLOPROTEASE (MMP) INHIBITORS | PFIZER LTD (GB) | 2004-01-02 | — | — | EP | claimed |
| EP-0099057-B1 | N-ACYL DERIVATIVES OF PEPTIDES, THEIR MANUFACTURE AND USE IN COMBATING DISEASES AND MEANS THEREFOR | BASF Aktiengesellschaft (DE) | 1987-10-14 | — | — | EP | claimed |
| US-20160067361-A1 | ORGAN PROTECTION IN PSMA-TARGETED RADIONUCLIDE THERAPY OF PROSTATE CANCER | MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) | 2016-03-10 | — | — | US | disclosed |