⚠ 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 | |
|---|---|---|---|---|
| Isobutane SCHEMBL27571121 | 0.84 | — | — | |
| Hypochlorous Acid SCHEMBL11416657 | 0.80 | — | — | |
| Isobutane SCHEMBL10862763 | 0.80 | — | — | |
| Isobutane SCHEMBL25273675 | 0.77 | — | — | |
| Isobutane SCHEMBL429587 | 0.77 | ALDH1A1 (0.50) | — | |
| Isobutane SCHEMBL11367071 | 0.77 | — | — | |
| Isobutane SCHEMBL2053057 | 0.77 | — | — | |
| Isobutane SCHEMBL20490082 | 0.76 | TSHR (0.50) | — | |
| Isobutane SCHEMBL768 | 0.76 | — | — | |
| SCHEMBL10926352 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20130012493-A1 | NOVEL SPIRO IMIDAZOLONE DERIVATIVES AS GLUCAGON RECEPTOR ANTAGONISTS, COMPOSITIONS, AND METHODS FOR THEIR USE | MERCK SHARP & DOHME CORP. | 2013-01-10 | — | — | US | disclosed |