⚠ 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 | |
|---|---|---|---|---|
| Acetaldehyde SCHEMBL7071361 | 0.84 | — | — | |
| Formic Acid SCHEMBL11777953 | 0.84 | TSHR (0.50) | — | |
| Acetaldehyde SCHEMBL28563774 | 0.80 | TSHR (0.60) | — | |
| Formic Acid SCHEMBL9472719 | 0.78 | — | — | |
| Formic Acid SCHEMBL11153346 | 0.78 | — | — | |
| Formic Acid SCHEMBL139759 | 0.78 | — | — | |
| Formic Acid SCHEMBL11592629 | 0.78 | — | — | |
| Formic Acid SCHEMBL11073136 | 0.78 | — | — | |
| Formic Acid SCHEMBL6682610 | 0.78 | ALDH1A1 (0.38) | — | |
| Formic Acid SCHEMBL11248324 | 0.78 | ALDH1A1 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-103648482-B | Intravaginal delivery system | 根特大学 | 2018-01-02 | — | — | CN | disclosed |
| CN-1134965-A | High adhesion strength graft chlorobutyl rubber adhesive with changing-to-yellow resistant of coatings thereof, and process for prodn. of same | UNIV XIAMEN (CN) | 1996-11-06 | — | — | CN | disclosed |