Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Isobutyramide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
⚠ 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 | |
|---|---|---|---|---|
| Isobutyramide SCHEMBL2835574 | 0.89 | CHRNB2 (0.30) | — | |
| Isobutyramide SCHEMBL2656377 | 0.82 | LMNA (0.33) | — | |
| Isobutyramide SCHEMBL2761610 | 0.82 | LMNA (0.33) | — | |
| Dimethyl Sulfoxide SCHEMBL9191279 | 0.79 | — | — | |
| Isobutyramide SCHEMBL7867496 | 0.77 | TSHR (0.39) | — | |
| Dimethyl Sulfoxide SCHEMBL28230077 | 0.77 | — | — | |
| Dimethyl Sulfoxide SCHEMBL9878876 | 0.76 | — | — | |
| Urea SCHEMBL28280548 | 0.74 | LMNA (0.40) | — | |
| Isobutyramide SCHEMBL9651004 | 0.71 | — | — | |
| Dimethyl Sulfoxide SCHEMBL11584250 | 0.70 | — | — |
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-5036064-A | Antibiotics | HOFFMANN-LA ROCHE INC. (US) | 1991-07-30 | — | — | US | disclosed |