⚠ 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 | |
|---|---|---|---|---|
| Butyramide SCHEMBL27345575 | 1.00 | CES2 (0.53) | — | |
| Butyramide SCHEMBL8555402 | 1.00 | — | — | |
| Butyramide SCHEMBL5681 | 1.00 | — | — | |
| Butyramide SCHEMBL30478460 | 0.97 | — | — | |
| Butyramide SCHEMBL6779842 | 0.97 | — | — | |
| Butyramide SCHEMBL16211050 | 0.97 | CES2 (0.50) | — | |
| Butyramide SCHEMBL29624901 | 0.97 | — | — | |
| Butyramide SCHEMBL8812155 | 0.97 | CES2 (0.50) | — | |
| Butyramide SCHEMBL9709127 | 0.97 | — | — | |
| Butyramide SCHEMBL31742524 | 0.97 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-114728983-A | Derivatization of beta-lactam antibiotics as calibrators/ISTD in mass spectrometric measurements | 豪夫迈·罗氏有限公司 | 2022-07-08 | — | — | CN | disclosed |