⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9702582 | 1.00 | — | — | |
| SCHEMBL5999056 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL9864887 | 0.98 | — | — | |
| SCHEMBL5791673 | 0.94 | LMNA (0.33) | — | |
| SCHEMBL9661174 | 0.90 | ARG1 (0.31) | — | |
| SCHEMBL5595127 | 0.90 | ARG1 (0.31) | — | |
| SCHEMBL3424293 | 0.86 | ARG1 (0.33) | — | |
| SCHEMBL4634034 | 0.86 | ARG1 (0.33) | — | |
| SCHEMBL10989977 | 0.86 | ARG1 (0.33) | — | |
| SCHEMBL10659624 | 0.86 | ARG1 (0.33) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5091427-A | PIPERAZINEDIONES HAVING A PSYCHOTROPIC ACTION | HOECHST AKTIENGESELLSCHAFT (DE) | 1992-02-25 | — | — | US | disclosed |