⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9359821 | 0.80 | MAPK1 (0.37) | — | |
| SCHEMBL3613563 | 0.79 | TSHR (0.50) | — | |
| SCHEMBL7609864 | 0.77 | TSHR (0.55) | — | |
| SCHEMBL10840347 | 0.75 | MEN1 (0.52) | — | |
| SCHEMBL1474297 | 0.75 | ALDH1A1 (0.42) | — | |
| SCHEMBL3581195 | 0.75 | CYP2A6 (0.40) | — | |
| SCHEMBL204375 | 0.74 | MAPK1 (0.52) | — | |
| SCHEMBL52644 | 0.73 | TSHR (0.55) | — | |
| SCHEMBL7562780 | 0.71 | CYP1A1 (0.39) | — | |
| SCHEMBL7522494 | 0.71 | ALDH1A1 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-102532162-B | 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles | OTSUKA PHARMA CO LTD | 2015-05-27 | — | — | CN | disclosed |
| CN-102532162-A | 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles | OTSUKA PHARMA CO LTD | 2012-07-04 | — | — | CN | disclosed |
| US-5506355-A | REACTING DIAMINE HAVING DIOL PROTECTED WITH CYCLIC ACETAL GROUP IN SOLVENT WITH HINDERED AMINE BASE AND SULFONYL GROUP PRECURSOR, ALKYLATING IN PRESENCE OF BASE | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-04-09 | — | — | US | disclosed |