⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4507427 | 0.82 | — | — | |
| SCHEMBL4507425 | 0.82 | — | — | |
| SCHEMBL4507423 | 0.82 | — | — | |
| SCHEMBL17123007 | 0.79 | — | — | |
| SCHEMBL7180210 | 0.78 | — | — | |
| SCHEMBL7180208 | 0.78 | — | — | |
| SCHEMBL7009018 | 0.76 | CA4 (0.41) | — | |
| SCHEMBL7009022 | 0.76 | CA4 (0.41) | — | |
| SCHEMBL22893334 | 0.76 | ALDH1A1 (0.33) | — | |
| SCHEMBL19071358 | 0.74 | IDO1 (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-11208400-B2 | Substituted 6-(1H-pyrazol-1-yl)pyrimidin-4-amine derivatives and uses thereof | BAYER AKTIENGESELLSCHAFT (DE) | 2021-12-28 | — | — | US | disclosed |
| US-20200055842-A1 | SUBSTITUTED 6-(1H-PYRAZOL-1-YL)PYRIMIDIN-4-AMINE DERIVATIVES AND USES THEREOF | BAYER AKTIENGESELLSCHAFT (DE) | 2020-02-20 | — | — | US | disclosed |
| US-8389757-B2 | Process for preparing teriflunomide | ALEMBIC LTD. (IN) | 2013-03-05 | — | — | US | disclosed |
| US-20110092727-A1 | PROCESS FOR PREPARING TERIFLUNOMIDE | ALEMBIC LIMITED (IN) | 2011-04-21 | — | — | US | disclosed |