⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2724338 | 0.74 | — | — | |
| SCHEMBL23945496 | 0.74 | — | — | |
| SCHEMBL22306096 | 0.74 | — | — | |
| SCHEMBL25605911 | 0.72 | PIK3CD (0.36) | — | |
| SCHEMBL25089409 | 0.72 | TDP1 (0.36) | — | |
| SCHEMBL26141857 | 0.71 | CYP2C19 (0.38) | — | |
| SCHEMBL24211414 | 0.70 | — | — | |
| SCHEMBL8308809 | 0.69 | — | — | |
| SCHEMBL23073824 | 0.69 | — | — | |
| SCHEMBL21554782 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20190125736-A1 | USE OF 2-SUBSTITUTED INDAZOLES FOR THE TREATMENT AND PROPHYLAXIS OF AUTOIMMUNE DISEASES | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2019-05-02 | — | — | US | disclosed |