⚠ 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 SCHEMBL27823458 | 0.97 | FFAR3 (0.93) | — | |
| Butyric Acid SCHEMBL28375517 | 0.97 | FFAR3 (0.93) | — | |
| Butyric Acid SCHEMBL28484952 | 0.97 | FFAR3 (0.93) | — | |
| Butyric Acid SCHEMBL7879075 | 0.97 | FFAR3 (0.93) | — | |
| Butyric Acid SCHEMBL4292003 | 0.97 | — | — | |
| Butyric Acid SCHEMBL28462096 | 0.97 | FFAR3 (0.93) | — | |
| Butyric Acid SCHEMBL358880 | 0.97 | — | — | |
| Butyric Acid SCHEMBL1064982 | 0.97 | — | — | |
| Butyric Acid SCHEMBL720255 | 0.97 | — | — | |
| Butyric Acid SCHEMBL27998315 | 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-105102116-A | Method for preparing an optionally functionalised glass having bimodal porosity, and said glass | COMMISSARIAT ENERGIE ATOMIQUE | 2015-11-25 | — | — | CN | disclosed |