⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14294929 | 0.77 | — | — | |
| SCHEMBL18601600 | 0.77 | — | — | |
| SCHEMBL16606648 | 0.73 | — | — | |
| SCHEMBL5684342 | 0.72 | — | — | |
| SCHEMBL29014052 | 0.71 | — | — | |
| SCHEMBL7151516 | 0.71 | — | — | |
| SCHEMBL11481333 | 0.71 | — | — | |
| SCHEMBL13009192 | 0.69 | TSHR (0.33) | — | |
| SCHEMBL3700155 | 0.68 | — | — | |
| SCHEMBL11350492 | 0.67 | — | — |
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-7807725-B2 | Foam regulating agent based on cationic urethane oligomers | BASF AKTIENGESELLSCHAFT (DE) | 2010-10-05 | — | — | US | disclosed |
| US-20060263324-A1 | Foam regulating agent based on cationic urethane oligomers | BASF AKTIENGESELLSCHAFT (DE) | 2006-11-23 | — | — | US | disclosed |