⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9755036 | 0.73 | — | — | |
| SCHEMBL9366414 | 0.73 | THRB (0.32) | — | |
| SCHEMBL15256670 | 0.72 | LMNA (0.39) | — | |
| SCHEMBL161314 | 0.71 | LMNA (0.42) | — | |
| SCHEMBL9366409 | 0.70 | LMNA (0.38) | — | |
| SCHEMBL18775410 | 0.69 | — | — | |
| SCHEMBL4842907 | 0.68 | — | — | |
| SCHEMBL30343704 | 0.66 | FAAH (0.39) | — | |
| SCHEMBL30343703 | 0.66 | FAAH (0.39) | — | |
| SCHEMBL30343697 | 0.66 | FAAH (0.39) | — |
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-4597903-A | Process for the direct preparation of N,N-disubstituted derivatives for 4,13-diaza-18-crown-6 | UNIVERSITY OF MARYLAND (US) | 1986-07-01 | — | — | US | claimed |
| US-4687844-A | Process for the direct preparation of N,N-disubstituted derivatives for 4,13-diaza-18-crown-6 | UNIVERSITY OF MARYLAND (US) | 1987-08-18 | — | — | US | disclosed |
| US-4597903-A | Process for the direct preparation of N,N-disubstituted derivatives for 4,13-diaza-18-crown-6 | UNIVERSITY OF MARYLAND (US) | 1986-07-01 | — | — | US | disclosed |