⚠ 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 | |
|---|---|---|---|---|
| Butyric Acid SCHEMBL27718871 | 0.88 | — | — | |
| Butyric Acid SCHEMBL9352740 | 0.88 | — | — | |
| Butyric Acid SCHEMBL1332215 | 0.87 | — | — | |
| Butyric Acid SCHEMBL20678495 | 0.87 | — | — | |
| Butyric Acid SCHEMBL8458708 | 0.87 | FFAR3 (1.00) | — | |
| Butyric Acid SCHEMBL4446516 | 0.87 | FFAR3 (1.00) | — | |
| Butyric Acid SCHEMBL991717 | 0.87 | FFAR3 (1.00) | — | |
| Butyric Acid SCHEMBL8457839 | 0.87 | FFAR3 (1.00) | — | |
| Butyric Acid SCHEMBL339305 | 0.87 | FFAR3 (1.00) | — | |
| Butyric Acid SCHEMBL5703921 | 0.87 | FFAR3 (1.00) | — |
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-6265415-B1 | ANTIULCER AGENT | ASTRAZENECA AB (SE) | 2001-07-24 | — | — | US | disclosed |