⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL875793 | 1.00 | — | — | |
| SCHEMBL24240682 | 1.00 | ALDH1A1 (0.41) | — | |
| SCHEMBL130252 | 0.90 | — | — | |
| SCHEMBL249964 | 0.90 | — | — | |
| SCHEMBL9975152 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL22771829 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL7227533 | 0.87 | — | — | |
| SCHEMBL6473740 | 0.83 | — | — | |
| SCHEMBL17062956 | 0.83 | ALDH1A1 (0.50) | — | |
| SCHEMBL8581303 | 0.83 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012038197-A1 | COATING AGENT HAVING (METH)ACRYLIC POLYMERS AND COALESCENCE ADDITIVES | EVONIK RÖHM GMBH (DE) | 2012-03-29 | — | — | WO | disclosed |
| WO-2010112288-A1 | COATING AGENT, METHOD FOR PRODUCING A COATING AND COATED OBJECT | EVONIK RÖHM GMBH (DE) | 2010-10-07 | — | — | WO | disclosed |