⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18312845 | 0.73 | — | — | |
| SCHEMBL13827867 | 0.73 | — | — | |
| SCHEMBL190317 | 0.73 | — | — | |
| SCHEMBL28729572 | 0.71 | CYP3A4 (0.43) | — | |
| SCHEMBL6998271 | 0.68 | DAO (0.35) | — | |
| SCHEMBL17382471 | 0.68 | — | — | |
| Propylthiouracil SCHEMBL17375339 | 0.66 | MPO (0.44) | — | |
| Methylthiouracil SCHEMBL11433163 | 0.59 | — | — | |
| SCHEMBL13358841 | 0.58 | SRC (0.39) | — | |
| SCHEMBL26975118 | 0.58 | KMT2A (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101035780-A | Substituted nitrogen-containing six-membered amino-heterocycles as vanilloid-1 receptor antagonists for treating pain | MERCK SHARP & DOHME (GB) | 2007-09-12 | — | — | CN | disclosed |
| US-20050197342-A1 | Substituted nitrogen-containing six-membered amino-heterocycles as vanilloid-1 receptor antagonists for treating pain | HOLLINGWORTH GREGORY J (GB) | 2005-09-08 | — | — | US | disclosed |