⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13317702 | 0.70 | — | — | |
| SCHEMBL6443245 | 0.70 | — | — | |
| SCHEMBL20981454 | 0.70 | — | — | |
| SCHEMBL28211522 | 0.70 | MEN1 (0.38) | — | |
| SCHEMBL1664457 | 0.69 | POLB (0.42) | — | |
| SCHEMBL12081976 | 0.68 | DAPK3 (0.32) | — | |
| SCHEMBL22654576 | 0.67 | ALDH1A1 (0.33) | — | |
| SCHEMBL8444359 | 0.67 | — | — | |
| SCHEMBL8625439 | 0.64 | — | — | |
| SCHEMBL14819943 | 0.63 | — | — |
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-6479564-B1 | Isocyanate-based hardenable preparations | BASF AKTIENGESELLSCHAFT (DE) | 2002-11-12 | — | — | US | disclosed |
| EP-1141068-B1 | ISOCYANATE-BASED CURABLE PREPARATIONS | BASF AG (DE) | 2002-07-31 | — | — | EP | disclosed |