⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18653982 | 0.81 | — | — | |
| SCHEMBL146686 | 0.79 | — | — | |
| SCHEMBL18569701 | 0.79 | — | — | |
| SCHEMBL16812302 | 0.78 | — | — | |
| SCHEMBL17676855 | 0.78 | — | — | |
| SCHEMBL8842828 | 0.75 | TSHR (0.31) | — | |
| SCHEMBL19114134 | 0.75 | TSHR (0.31) | — | |
| SCHEMBL22746357 | 0.75 | — | — | |
| SCHEMBL18974093 | 0.74 | — | — | |
| SCHEMBL19673339 | 0.73 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230286932-A1 | SYNTHETIC METHODS FOR PREPARATION OF 4-(2-CHLORO-4-METHOXY-5-METHYLPHENYL)-N-[(1S)-2-CYCLOPROPYL-1-(3-FLUORO-4-METHYLPHENYL)ETHYL]-5-METHYL-N-PROP-2-YNYL-1,3-THIAZOL-2-AMINE | NEUROCRINE BIOSCIENCES, INC. | 2023-09-14 | — | — | US | disclosed |
| EP-3683222-B1 | NOVEL BICYCLIC OR TRICYCLIC HETEROCYCLIC COMPOUND | MITSUBISHI TANABE PHARMA CORP (JP) | 2021-10-06 | — | — | EP | disclosed |
| EP-2661428-B1 | QUINOXALINES AND AZA-QUINOXALINES AS CRTH2 RECEPTOR MODULATORS | MERCK SHARP & DOHME (US) | 2017-06-07 | — | — | EP | disclosed |