⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL844995 | 1.00 | — | — | |
| SCHEMBL9501032 | 0.83 | CES2 (0.35) | — | |
| SCHEMBL20355780 | 0.82 | — | — | |
| SCHEMBL24021189 | 0.78 | SQLE (0.43) | — | |
| SCHEMBL2004315 | 0.78 | — | — | |
| SCHEMBL16373202 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL28461784 | 0.78 | CES2 (0.32) | — | |
| SCHEMBL12593651 | 0.78 | — | — | |
| SCHEMBL21745650 | 0.78 | — | — | |
| SCHEMBL15200421 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3041821-B1 | BICYLIC COMPOUNDS AS MODULATORS OF RORGAMMA | BOEHRINGER INGELHEIM INT (DE) | 2018-05-30 | — | — | EP | disclosed |