⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5591290 | 0.79 | — | — | |
| SCHEMBL1504 | 0.76 | — | — | |
| SCHEMBL27496110 | 0.75 | HCAR2 (0.70) | — | |
| SCHEMBL31320002 | 0.75 | HCAR2 (0.52) | — | |
| SCHEMBL27834455 | 0.74 | — | — | |
| Water SCHEMBL27855961 | 0.74 | — | — | |
| SCHEMBL40333 | 0.73 | — | — | |
| SCHEMBL32678651 | 0.71 | — | — | |
| Bromide SCHEMBL29636344 | 0.71 | — | — | |
| SCHEMBL28747765 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3822265-A1 | SUBSTITUTED HYDANTOINAMIDES AS ADAMTS7 ANTAGONISTS | Bayer AG (DE) | 2021-05-19 | — | — | EP | disclosed |
| US-8513289-B2 | P38 kinase inhibiting agents | MERCK SHARP & DOHME CORP. (US) | 2013-08-20 | — | — | US | disclosed |
| US-20120040999-A1 | P38 KINASE INHIBITING AGENTS | MERCK SHARP & DOHME LLC | 2012-02-16 | — | — | US | disclosed |