⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31041531 | 0.80 | PIK3CD (0.33) | — | |
| SCHEMBL21779915 | 0.79 | — | — | |
| SCHEMBL12818092 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL25305032 | 0.77 | — | — | |
| SCHEMBL15380939 | 0.76 | — | — | |
| SCHEMBL19226122 | 0.75 | — | — | |
| SCHEMBL761699 | 0.74 | — | — | |
| SCHEMBL24707652 | 0.74 | — | — | |
| SCHEMBL21098982 | 0.74 | EPHX1 (0.37) | — | |
| SCHEMBL11248923 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-117551073-A | Thienylaniline compounds for the treatment of dermatological disorders | 恩福莱克逊治疗有限公司 | 2024-02-13 | — | — | CN | disclosed |
| EP-1358161-A2 | N-PYRIDYL CARBOXAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | Amgen Inc. (US) | 2003-11-05 | — | — | EP | disclosed |
| WO-2002055501-A2 | N-PYRIDYL CARBOXAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | AMGEN INC (US) | 2002-07-18 | — | — | WO | disclosed |