⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20033753 | 0.90 | — | — | |
| SCHEMBL20033754 | 0.90 | — | — | |
| SCHEMBL26882197 | 0.77 | — | — | |
| SCHEMBL15612914 | 0.71 | — | — | |
| SCHEMBL21789658 | 0.69 | — | — | |
| SCHEMBL13684643 | 0.65 | — | — | |
| SCHEMBL21533191 | 0.65 | — | — | |
| SCHEMBL21938865 | 0.65 | — | — | |
| SCHEMBL20625605 | 0.64 | HTT (0.37) | — | |
| SCHEMBL17469451 | 0.61 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210361774-A1 | DEGRADERS OF WILD-TYPE AND MUTANT FORMS OF LRRK2 | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2021-11-25 | — | — | US | disclosed |
| US-20210347772-A1 | AZAINDOLE INHIBITORS OF WILD-TYPE AND MUTANT FORMS OF LRRK2 | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2021-11-11 | — | — | US | disclosed |
| US-10961238-B2 | Modulators of hedgehog (Hh) signaling pathway | E-THERAPEUTICS PLC (GB) | 2021-03-30 | — | — | US | disclosed |
| US-20200055847-A1 | MODULATORS OF HEDGEHOG (HH) SIGNALLING PATHWAY | E-THERAPEUTICS PLC (GB) | 2020-02-20 | — | — | US | disclosed |
| US-9938236-B2 | Antiviral agents against HBV infection | DREXEL UNIVERSITY (US) | 2018-04-10 | — | — | US | disclosed |