⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29118533 | 0.81 | S1PR2 (0.32) | — | |
| SCHEMBL20828647 | 0.78 | — | — | |
| SCHEMBL20819697 | 0.78 | L3MBTL1 (0.39) | — | |
| SCHEMBL20828969 | 0.77 | ESR1 (0.33) | — | |
| SCHEMBL20828962 | 0.75 | ACACB (0.31) | — | |
| SCHEMBL29118537 | 0.75 | S1PR1 (0.33) | — | |
| SCHEMBL14523485 | 0.67 | THRB (0.38) | — | |
| SCHEMBL14293809 | 0.65 | MAPT (0.50) | — | |
| Ethyne SCHEMBL27949698 | 0.65 | L3MBTL1 (0.37) | — | |
| SCHEMBL15684588 | 0.65 | TLR8 (0.37) | — |
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-2019052973-A1 | DIBENZOFURAN AND DIBENZOTHIOPHENE DERIVATIVES | MERCK PATENT GMBH (DE) | 2019-03-21 | — | — | WO | disclosed |