⚠ 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 | |
|---|---|---|---|---|
| Ethane SCHEMBL21225288 | 0.97 | TSHR (0.32) | — | |
| SCHEMBL8217894 | 0.81 | TSHR (0.33) | — | |
| SCHEMBL8209832 | 0.80 | ALDH1A1 (0.31) | — | |
| SCHEMBL8217197 | 0.75 | TSHR (0.30) | — | |
| SCHEMBL12479 | 0.74 | — | — | |
| Bromide SCHEMBL19433742 | 0.72 | POLB (0.30) | — | |
| SCHEMBL1515402 | 0.72 | — | — | |
| SCHEMBL21973375 | 0.72 | — | — | |
| SCHEMBL31150868 | 0.72 | — | — | |
| SCHEMBL25853742 | 0.72 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022090481-A1 | SUBSTITUTED 1H-PYRAZOLO[4,3-C]PYRIDINES AND DERIVATIVES AS EGFR INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2022-05-05 | — | — | WO | disclosed |
| EP-3555063-B1 | 6-AMINO-QUINOLINONE COMPOUNDS AND DERIVATIVES AS BCL6 INHIBITORS | BOEHRINGER INGELHEIM INT (DE) | 2020-09-16 | — | — | EP | disclosed |
| WO-2018108704-A1 | NEW 6-AMINO-QUINOLINONE COMPOUNDS AND DERIVATIVES AS BCL6 INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2018-06-21 | — | — | WO | disclosed |
| EP-2986604-B1 | PYRIMIDINE-SUBSTITUTED PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF | BOEHRINGER INGELHEIM INT (DE) | 2017-12-20 | — | — | EP | disclosed |
| WO-2011143365-A1 | NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS | AMGEN INC. (US) | 2011-11-17 | — | — | WO | disclosed |