⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21135053 | 0.88 | OGA (0.32) | — | |
| SCHEMBL19155805 | 0.71 | PARP1 (0.34) | — | |
| SCHEMBL20259463 | 0.68 | PTGS1 (0.34) | — | |
| SCHEMBL20259462 | 0.68 | HDAC3 (0.31) | — | |
| SCHEMBL19869241 | 0.67 | HTR2A (0.32) | — | |
| SCHEMBL17178079 | 0.66 | PARP1 (0.33) | — | |
| SCHEMBL13054422 | 0.66 | FABP4 (0.39) | — | |
| SCHEMBL13054417 | 0.66 | FABP4 (0.39) | — | |
| SCHEMBL18509001 | 0.65 | TRPA1 (0.38) | — | |
| SCHEMBL26756640 | 0.65 | PARP1 (0.36) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10738062-B2 | Chromane-substituted tetracyclic compounds and uses thereof for the treatment of viral diseases | MERCK SHARP & DOHME CORP. (US) | 2020-08-11 | — | — | US | disclosed |
| US-20190185486-A1 | CHROMANE-SUBSTITUTED TETRACYCLIC COMPOUNDS AND USES THEREOF FOR THE TREATMENT OF VIRAL DISEASES | MERCK SHARP & DOHME CORP. (US) | 2019-06-20 | — | — | US | disclosed |