⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10250178 | 0.81 | — | — | |
| SCHEMBL12012896 | 0.79 | — | — | |
| SCHEMBL14026634 | 0.79 | — | — | |
| SCHEMBL21333981 | 0.78 | — | — | |
| SCHEMBL680605 | 0.73 | — | — | |
| SCHEMBL7615066 | 0.73 | AR (0.36) | — | |
| SCHEMBL23845817 | 0.72 | — | — | |
| SCHEMBL10250249 | 0.72 | KMT2A (0.41) | — | |
| SCHEMBL24122269 | 0.72 | — | — | |
| Bromide SCHEMBL28471242 | 0.72 | — | — |
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-8093403-B2 | Process for producing fused imidazole compound, reformatsky reagent in stable form, and process for producing the same | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-01-10 | — | — | US | disclosed |
| US-20100105922-A1 | PROCESS FOR PRODUCING FUSED IMIDAZOLE COMPOUND, REFORMATSKY REAGENT IN STABLE FORM, AND PROCESS FOR PRODUCING THE SAME | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-04-29 | — | — | US | disclosed |
| US-7662974-B2 | reduction of carboxylic acid ester using metal hydride complexes and metal halides to form compounds such as ethyl (3S)-3-hydroxy-3-{6-[(methylamino)carbonyl]-2-naphthyl}-3-(1-trityl-1H-imidazol-4-yl)propanoate, used as lyase enzyme inhibitors | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-02-16 | — | — | US | disclosed |