⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11815471 | 1.00 | — | — | |
| SCHEMBL13336440 | 0.77 | TRPA1 (0.32) | — | |
| SCHEMBL7636684 | 0.77 | TRPA1 (0.32) | — | |
| SCHEMBL1109751 | 0.77 | TRPA1 (0.32) | — | |
| SCHEMBL28711959 | 0.76 | — | — | |
| SCHEMBL220893 | 0.74 | — | — | |
| SCHEMBL9914293 | 0.74 | — | — | |
| SCHEMBL9914203 | 0.74 | — | — | |
| SCHEMBL10937305 | 0.72 | — | — | |
| SCHEMBL17977047 | 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 |
|---|---|---|---|---|---|---|---|
| US-5554751-A | Aminoureidofullerene and aminothioureidofullerene derivatives and process for the preparation thereof | HOECHST AKTIENGESELLSCHAFT (DE) | 1996-09-10 | — | — | US | disclosed |
| EP-0653424-A1 | Amino-ureido- and -thioureido-fullerene derivatives and process for their preparation | HOECHST AKTIENGESELLSCHAFT (DE) | 1995-05-17 | — | — | EP | disclosed |
| US-3931214-A | 2-Amino-2-oxazolines and process for preparing them | HOECHST AKTIENGESELLSCHAFT (DT) | 1976-01-06 | — | — | US | disclosed |