⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL60109 | 0.76 | — | — | |
| Butane SCHEMBL27669181 | 0.73 | TSHR (0.47) | — | |
| Butane SCHEMBL3198935 | 0.73 | — | — | |
| Butadiene SCHEMBL10662105 | 0.73 | TSHR (0.47) | — | |
| Butane SCHEMBL3619323 | 0.73 | — | — | |
| Butadiene SCHEMBL2466305 | 0.73 | — | — | |
| Ethane SCHEMBL27736081 | 0.71 | — | — | |
| Butane SCHEMBL454368 | 0.71 | — | — | |
| Butane SCHEMBL9978624 | 0.71 | — | — | |
| SCHEMBL679120 | 0.71 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2300472-B1 | GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF | BOEHRINGER INGELHEIM INT (DE) | 2012-01-18 | — | — | EP | disclosed |