⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15774053 | 1.00 | — | — | |
| SCHEMBL154955 | 0.79 | — | — | |
| SCHEMBL25003717 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL2532415 | 0.76 | TDP1 (0.31) | — | |
| Bromide SCHEMBL2534871 | 0.76 | TDP1 (0.31) | — | |
| Iodide SCHEMBL1835509 | 0.76 | TDP1 (0.31) | — | |
| Ammonia Solution, Strong SCHEMBL17927325 | 0.76 | TDP1 (0.31) | — | |
| Bromide SCHEMBL1831096 | 0.73 | — | — | |
| SCHEMBL122330 | 0.71 | TDP1 (0.39) | — | |
| SCHEMBL903705 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012040923-A1 | TETRACYCLIC INDOLE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES | MERCK SHARP & DOHME CORP. (US) | 2012-04-05 | — | — | WO | disclosed |