⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL337498 | 0.62 | — | — | |
| SCHEMBL337497 | 0.62 | — | — | |
| SCHEMBL3270492 | 0.60 | — | — | |
| SCHEMBL3104317 | 0.60 | TSHR (0.31) | — | |
| SCHEMBL2229482 | 0.57 | — | — | |
| SCHEMBL9483612 | 0.57 | — | — | |
| SCHEMBL1632138 | 0.57 | — | — | |
| SCHEMBL1632136 | 0.57 | — | — | |
| SCHEMBL4235816 | 0.57 | — | — | |
| SCHEMBL3069183 | 0.57 | — | — |
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-2003031395-A1 | ISOCYANATO-ISOCYANO COMPOUNDS | DR. ECKERT GMBH (DE) | 2003-04-17 | — | — | WO | disclosed |
| EP-1300393-A1 | Isocyanato-isocyano-compounds | Dr. Eckert GmbH (DE) | 2003-04-09 | — | — | EP | disclosed |