⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL422121 | 0.80 | — | — | |
| SCHEMBL5052177 | 0.78 | TDP1 (0.33) | — | |
| SCHEMBL11473881 | 0.78 | — | — | |
| SCHEMBL8398470 | 0.76 | — | — | |
| SCHEMBL11455287 | 0.76 | POLB (0.31) | — | |
| SCHEMBL6846159 | 0.76 | — | — | |
| SCHEMBL21538851 | 0.76 | MMP8 (0.31) | — | |
| SCHEMBL11454446 | 0.76 | — | — | |
| SCHEMBL9755293 | 0.74 | TDP1 (0.35) | — | |
| SCHEMBL20880754 | 0.74 | ALDH1A1 (0.39) | — |
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-6710120-B2 | WITH THE AIM OF LOWERING THE EMISSIONS OF ORGANIC SOLVENTS, AQUEOUS COATING COMPOSITIONS ARE INCREASINGLY BEING USED IN PLACE OF SOLVENT-BORNE SYSTEMS | BAYER AKTIENGESELLSCHAFT (DE) | 2004-03-23 | — | — | US | disclosed |
| US-20030191273-A1 | Polyurethane dispersions based on fatty acid dialkanolamides | COVESTRO DEUTSCHLAND AG (DE) | 2003-10-09 | — | — | US | disclosed |