⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1425833 | 0.73 | — | — | |
| SCHEMBL1308780 | 0.73 | — | — | |
| Ammonia Solution, Strong SCHEMBL28547793 | 0.70 | TDP1 (0.57) | — | |
| SCHEMBL1046735 | 0.70 | — | — | |
| Succimer SCHEMBL28566852 | 0.70 | ALDH1A1 (1.00) | — | |
| SCHEMBL4912396 | 0.70 | — | — | |
| Succimer SCHEMBL14941 | 0.70 | ALDH1A1 (1.00) | — | |
| Succimer SCHEMBL14942 | 0.70 | ALDH1A1 (1.00) | — | |
| Ammonia Solution, Strong SCHEMBL28508429 | 0.70 | — | — | |
| Ammonia Solution, Strong SCHEMBL28873010 | 0.70 | — | — |
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-5876830-A | Method of assembly of molecular-sized nets and scaffolding | BOARD OF REGENTS OF THE UNIVERSITY OF COLORADO (US) | 1999-03-02 | — | — | US | disclosed |
| WO-1997009158-A1 | METHOD OF ASSEMBLY OF MOLECULAR-SIZED NETS AND SCAFFOLDING | BOARD OF REGENTS OF THE UNIVERSITY OF COLORADO (US) | 1997-03-13 | — | — | WO | disclosed |