⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14231444 | 1.00 | — | — | |
| SCHEMBL12663032 | 0.88 | — | — | |
| SCHEMBL9423520 | 0.81 | ALDH1A1 (0.38) | — | |
| SCHEMBL20705369 | 0.80 | — | — | |
| SCHEMBL4938142 | 0.77 | TSHR (0.42) | — | |
| SCHEMBL12663297 | 0.77 | — | — | |
| SCHEMBL4938139 | 0.77 | TSHR (0.42) | — | |
| SCHEMBL19034962 | 0.75 | ALDH1A1 (0.36) | — | |
| SCHEMBL8675673 | 0.73 | HPGD (0.38) | — | |
| SCHEMBL8675674 | 0.73 | HPGD (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-1749288-B | Copolymers, preparation thereof and use as wetting agents and dispersants | BYK CHEMIE GMBH | 2010-09-29 | — | — | CN | disclosed |
| CN-1749288-A | Copolymers, preparation thereof and use as wetting agents and dispersants | BYK CHEMIE GMBH (DE) | 2006-03-22 | — | — | CN | disclosed |