⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9727069 | 0.73 | — | — | |
| SCHEMBL10437821 | 0.70 | — | — | |
| SCHEMBL11186743 | 0.70 | — | — | |
| SCHEMBL1936889 | 0.70 | — | — | |
| SCHEMBL4025744 | 0.67 | — | — | |
| Ammonia Solution, Strong SCHEMBL6081403 | 0.67 | — | — | |
| SCHEMBL1047051 | 0.67 | — | — | |
| Fluoride SCHEMBL20240343 | 0.64 | — | — | |
| SCHEMBL27921050 | 0.63 | — | — | |
| SCHEMBL5935803 | 0.61 | — | — |
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-6113880-A | Polyrotaxane derivatives for x-ray and nuclear magnetic resonance imaging | SCHERING AKTIENGESELLSCHAFT (DE) | 2000-09-05 | — | — | US | disclosed |
| US-4486603-A | Preparation of trans cyclohexane 1,4-diamine | AKZONA INCORPORATED (US) | 1984-12-04 | — | — | US | disclosed |