⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL37435 | 0.96 | — | — | |
| SCHEMBL11462276 | 0.96 | — | — | |
| SCHEMBL7927800 | 0.78 | — | — | |
| SCHEMBL9574541 | 0.76 | ALDH1A1 (0.33) | — | |
| SCHEMBL42740 | 0.76 | — | — | |
| SCHEMBL558041 | 0.74 | — | — | |
| SCHEMBL631310 | 0.74 | — | — | |
| SCHEMBL99628 | 0.73 | — | — | |
| SCHEMBL7869314 | 0.71 | — | — | |
| SCHEMBL2255667 | 0.71 | TSHR (0.47) | — |
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-103221505-B | Oilfield Treatment Fluids | BAKER HUGHES INC. (US) | 2016-05-11 | — | — | CN | disclosed |