⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5003414 | 0.79 | — | — | |
| SCHEMBL4865780 | 0.65 | — | — | |
| SCHEMBL2302116 | 0.61 | NOS3 (0.33) | — | |
| SCHEMBL2764539 | 0.55 | — | — | |
| SCHEMBL2047726 | 0.54 | — | — | |
| SCHEMBL12539197 | 0.53 | KDM4E (0.44) | — | |
| SCHEMBL3420486 | 0.53 | KDM4E (0.33) | — | |
| SCHEMBL15434573 | 0.52 | — | — | |
| SCHEMBL9797792 | 0.50 | PDE3B (0.42) | — | |
| SCHEMBL7700304 | 0.50 | CNR1 (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20080300135-A1 | 5-Alkyl-7-Amino-6-Heteroaryl-1,2,4-Triazolo[1,5-A]Pyrimidine Compounds and Their Use for Controlling Harmful Fungi | BASF AKTIENGESELLSCHAFT (DE) | 2008-12-04 | — | — | US | disclosed |