⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8312265 | 0.81 | KDM4E (0.31) | — | |
| SCHEMBL8335369 | 0.75 | MAPK1 (0.33) | — | |
| SCHEMBL8333331 | 0.73 | MAPK1 (0.32) | — | |
| SCHEMBL8333397 | 0.70 | KDR (0.32) | — | |
| SCHEMBL8308802 | 0.70 | — | — | |
| SCHEMBL8333778 | 0.68 | — | — | |
| SCHEMBL8688493 | 0.63 | MAPK1 (0.40) | — | |
| SCHEMBL9149540 | 0.62 | ALDH1A1 (0.31) | — | |
| SCHEMBL19792579 | 0.58 | NPC1 (0.49) | — | |
| SCHEMBL8334293 | 0.58 | MAPK1 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0958295-A1 | SUBSTITUTED 2-(2,4(1H,3H)-PYRIMIDINDION-3-YL) BENZTHIAZOLES | BASF AKTIENGESELLSCHAFT (DE) | 1999-11-24 | — | — | EP | disclosed |
| WO-1998033796-A1 | SUBSTITUTED 2-(2,4(1H,3H)-PYRIMIDINDION-3-YL) BENZTHIAZOLES | BASF AKTIENGESELLSCHAFT (DE) | 1998-08-06 | — | — | WO | disclosed |