⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8404495 | 0.70 | KDM4E (0.40) | — | |
| SCHEMBL23401931 | 0.69 | MEN1 (0.46) | — | |
| SCHEMBL758498 | 0.67 | RAD51 (0.46) | — | |
| SCHEMBL4309468 | 0.64 | MEN1 (0.58) | — | |
| SCHEMBL3187336 | 0.63 | — | — | |
| SCHEMBL23402985 | 0.63 | DAO (0.46) | — | |
| SCHEMBL23402953 | 0.63 | KDM4E (0.49) | — | |
| SCHEMBL7729347 | 0.62 | KDM4E (0.52) | — | |
| SCHEMBL23948971 | 0.60 | — | — | |
| SCHEMBL9147261 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018054846-A1 | N3-CYCLICALLY SUBSTITUTED THIENOURACILES AND USE THEREOF | BAYER AKTIENGESELLSCHAFT (DE) | 2018-03-29 | — | — | WO | disclosed |