⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16311704 | 1.00 | — | — | |
| SCHEMBL8280573 | 0.79 | — | — | |
| SCHEMBL86131 | 0.79 | — | — | |
| SCHEMBL459642 | 0.79 | CYP19A1 (0.48) | — | |
| Bromide SCHEMBL10990647 | 0.77 | — | — | |
| SCHEMBL2990565 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL4251018 | 0.77 | — | — | |
| Fluoride SCHEMBL28816395 | 0.77 | — | — | |
| SCHEMBL616843 | 0.75 | — | — | |
| SCHEMBL21900876 | 0.75 | CYP19A1 (0.50) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10669276-B2 | Fused pyrimidine derivatives | HOFFMANN-LA ROCHE INC. (US) | 2020-06-02 | — | — | US | disclosed |
| US-20170053699-A1 | SEMICONDUCTOR DEVICE, ELECTRONIC COMPONENT, AND ELECTRONIC DEVICE | SEMICONDUCTOR ENERGY LABORATORY CO., LTD. | 2017-02-23 | — | — | US | disclosed |
| EP-2239256-A1 | Sodium salt of 5-cyclopropyl-2-{[2-(2,6-difluorophenyl)pyrimidin-5-yl]amino}benzoic acid as DHODH inhibitor | Almirall, S.A. (ES) | 2010-10-13 | — | — | EP | disclosed |