⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3672335 | 0.69 | — | — | |
| SCHEMBL21672144 | 0.62 | NPC1 (0.33) | — | |
| SCHEMBL21672134 | 0.62 | NPC1 (0.30) | — | |
| Naphthalene SCHEMBL1879779 | 0.62 | NPC1 (0.43) | — | |
| SCHEMBL1324800 | 0.61 | ALDH1A1 (0.42) | — | |
| SCHEMBL2493154 | 0.57 | KMT2A (0.52) | — | |
| SCHEMBL3654379 | 0.57 | ENPP2 (0.48) | — | |
| SCHEMBL22792703 | 0.56 | NPC1 (0.33) | — | |
| SCHEMBL16878838 | 0.56 | — | — | |
| SCHEMBL22045619 | 0.55 | ALDH1A1 (0.53) | — |
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-2012131297-A1 | PYRIDO [3',2' :4,5] THIENO [3, 2-D] PYRIMIDIN- 4 - YLAMINE DERIVATIVES AND THEIR THERAPEUTICAL USE | BAELL JONATHAN BAYLDON (AU) | 2012-10-04 | — | — | WO | disclosed |