⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17072352 | 0.72 | — | — | |
| SCHEMBL23638030 | 0.72 | — | — | |
| SCHEMBL9503195 | 0.70 | — | — | |
| SCHEMBL15943311 | 0.69 | — | — | |
| SCHEMBL10492376 | 0.67 | — | — | |
| SCHEMBL17425372 | 0.67 | — | — | |
| SCHEMBL24779834 | 0.65 | — | — | |
| SCHEMBL17461117 | 0.62 | — | — | |
| Cyclopropane SCHEMBL9142093 | 0.61 | — | — | |
| SCHEMBL487298 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20220162191-A1 | SMALL MOLECULE MODULATORS OF IL-17 | LEO PHARMA A/S (DK) | 2022-05-26 | — | — | US | disclosed |
| EP-2978425-B1 | FACTOR XIA INHIBITORS | MERCK SHARP & DOHME (US) | 2017-09-27 | — | — | EP | disclosed |
| US-9556131-B2 | Compositions, methods of use, and methods of treatment | UNIVERSITY OF SOUTH FLORIDA (US) | 2017-01-31 | — | — | US | disclosed |
| US-9095108-B2 | Soybean cultivar BN1110075 | SYNGENTA PARTICIPATIONS AG (CH) | 2015-08-04 | — | — | US | disclosed |