⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL329130 | 0.64 | — | — | |
| SCHEMBL29205011 | 0.61 | — | — | |
| SCHEMBL8526388 | 0.61 | — | — | |
| SCHEMBL13156410 | 0.61 | — | — | |
| Water SCHEMBL31012143 | 0.61 | — | — | |
| Hydrochloric Acid SCHEMBL3949428 | 0.59 | — | — | |
| SCHEMBL23917942 | 0.57 | — | — | |
| SCHEMBL22914543 | 0.57 | — | — | |
| SCHEMBL22857698 | 0.57 | — | — | |
| SCHEMBL31107017 | 0.57 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11767330-B2 | Citrate salt, pharmaceutical compositions, and methods of making and using the same | FOGHORN THERAPEUTICS INC. (US) | 2023-09-26 | — | — | US | disclosed |
| CN-108495836-B | Single step conversion of n-butyraldehyde to 2-ethylhexanal | 伊士曼化工公司 | 2022-03-08 | — | — | CN | disclosed |