⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7441551 | 0.78 | — | — | |
| SCHEMBL7441545 | 0.78 | — | — | |
| SCHEMBL1214540 | 0.77 | — | — | |
| SCHEMBL2888177 | 0.77 | — | — | |
| SCHEMBL2540115 | 0.76 | — | — | |
| SCHEMBL2710963 | 0.74 | — | — | |
| SCHEMBL4740857 | 0.72 | — | — | |
| SCHEMBL1218428 | 0.72 | — | — | |
| SCHEMBL3923421 | 0.72 | — | — | |
| SCHEMBL17223563 | 0.72 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1590358-A1 | 9-KETOSPINOSYN DERIVATIVES | Bayer CropScience Aktiengesellschaft (DE) | 2005-11-02 | — | — | EP | disclosed |
| US-20050136180-A1 | Method of coating a substrate with a fluoropolymer | 3M INNOVATIVE PROPERTIES COMPANY | 2005-06-23 | — | — | US | disclosed |
| WO-2004065402-A1 | 9-KETOSPINOSYN DERIVATIVES | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2004-08-05 | — | — | WO | disclosed |