⚠ 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 | |
|---|---|---|---|---|
| Tetrabuthylammonium SCHEMBL9397471 | 0.87 | SLC22A1 (0.36) | — | |
| Triaziquone SCHEMBL4879123 | 0.83 | TP53 (0.36) | — | |
| Triaziquone SCHEMBL4407749 | 0.81 | TP53 (0.35) | — | |
| Tetrabuthylammonium SCHEMBL22034328 | 0.77 | — | — | |
| Triaziquone SCHEMBL7938206 | 0.75 | LMNA (0.38) | — | |
| Triaziquone SCHEMBL9798150 | 0.75 | TP53 (0.37) | — | |
| Tetrabuthylammonium SCHEMBL8836745 | 0.74 | SLC22A1 (0.50) | — | |
| Triaziquone SCHEMBL11793180 | 0.73 | TP53 (0.36) | — | |
| Triaziquone SCHEMBL20377447 | 0.73 | DNMT1 (0.34) | — | |
| Triaziquone SCHEMBL11350903 | 0.72 | HTT (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1994029331-A1 | NICOTINAMIDE RIBONUCLEOTIDE ISOSTERS, ISOSTERIC NAD ANALOGUES. THEIR SYNTHESES AND USE IN TREATMENTS OF ALCOHOLISM AND NEOPLASTIC DISEASES | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) | 1994-12-22 | — | — | WO | claimed |