⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8352992 | 0.87 | HTR1B (0.46) | — | |
| SCHEMBL186949 | 0.84 | — | — | |
| SCHEMBL11307647 | 0.84 | HTR1B (0.44) | — | |
| SCHEMBL7221701 | 0.84 | HTR1B (0.44) | — | |
| SCHEMBL13997649 | 0.84 | HTR1B (0.44) | — | |
| SCHEMBL13997648 | 0.84 | HTR1B (0.44) | — | |
| SCHEMBL11514048 | 0.84 | HTR1B (0.44) | — | |
| SCHEMBL12445961 | 0.81 | HTR1B (0.43) | — | |
| SCHEMBL837016 | 0.81 | EPHX1 (0.46) | — | |
| SCHEMBL4396243 | 0.80 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0733045-B1 | 4,6-DIANILINO-PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TYROSINE KINASE INHIBITORS | ASTRAZENECA AB (SE) | 2001-08-16 | — | — | EP | disclosed |
| US-5880130-A | TREATMENT OF CELL-PROLIFERATION DISEASES | ZENECA LIMITED (GB) | 1999-03-09 | — | — | US | disclosed |
| EP-0733045-A1 | 4,6-DIANILINO-PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TYROSINE KINASE INHIBITORS | ZENECA LIMITED (GB) | 1996-09-25 | — | — | EP | disclosed |
| WO-1995015952-A1 | 4,6-DIANILINO-PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TYROSINE KINASE INHIBITORS | ZENECA LIMITED (GB) | 1995-06-15 | — | — | WO | disclosed |