⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10692533 | 0.72 | — | — | |
| SCHEMBL7493840 | 0.68 | — | — | |
| SCHEMBL10252968 | 0.62 | — | — | |
| SCHEMBL10950913 | 0.61 | — | — | |
| SCHEMBL17796262 | 0.61 | — | — | |
| SCHEMBL1788528 | 0.61 | — | — | |
| SCHEMBL14881178 | 0.61 | — | — | |
| SCHEMBL28455447 | 0.60 | — | — | |
| Iodide SCHEMBL4916833 | 0.59 | — | — | |
| SCHEMBL3592604 | 0.57 | — | — |
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-1521756-A1 | HETERO-CYCLICALY SUBSTITUTED IMIDAZOTRIAZINES | Bayer HealthCare AG (DE) | 2005-04-13 | — | — | EP | disclosed |
| WO-2004005291-A1 | HETERO-CYCLICALY SUBSTITUTED IMIDAZOTRIAZINES | BAYER HEALTHCARE AG (DE) | 2004-01-15 | — | — | WO | disclosed |
| EP-1169315-A2 | METHOD FOR PRODUCING AMIDINES | BASF AKTIENGESELLSCHAFT (DE) | 2002-01-09 | — | — | EP | disclosed |
| WO-2000061574-A2 | METHOD FOR PRODUCING THIOPHENYL-AMIDINES | BASF AKTIENGESELLSCHAFT (DE) | 2000-10-19 | — | — | WO | disclosed |