⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7650893 | 0.95 | THRB (0.31) | — | |
| SCHEMBL7656590 | 0.93 | THRB (0.34) | — | |
| SCHEMBL7656603 | 0.83 | THRB (0.32) | — | |
| SCHEMBL8846928 | 0.81 | THRB (0.34) | — | |
| SCHEMBL7651476 | 0.81 | SMN1; SMN2 (0.39) | — | |
| SCHEMBL7652146 | 0.80 | THRB (0.38) | — | |
| SCHEMBL7650483 | 0.80 | THRB (0.38) | — | |
| SCHEMBL7652406 | 0.80 | THRB (0.38) | — | |
| SCHEMBL3197716 | 0.76 | THRB (0.37) | — | |
| SCHEMBL3202669 | 0.71 | MEN1 (0.37) | — |
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-6383274-B1 | Ink jet ink compositions and printing processes | XEROX CORPORATION | 2002-05-07 | — | — | US | claimed |
| US-6383274-B1 | Ink jet ink compositions and printing processes | XEROX CORPORATION | 2002-05-07 | — | — | US | disclosed |