⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29675202 | 1.00 | — | — | |
| SCHEMBL15809414 | 0.92 | KDM4E (0.33) | — | |
| SCHEMBL15825782 | 0.89 | KDM4E (0.30) | — | |
| SCHEMBL15827911 | 0.86 | — | — | |
| SCHEMBL5477563 | 0.83 | RXRB (0.31) | — | |
| SCHEMBL17403190 | 0.82 | NPC1 (0.32) | — | |
| SCHEMBL5860049 | 0.78 | RXRB (0.33) | — | |
| SCHEMBL15931794 | 0.77 | — | — | |
| SCHEMBL28878589 | 0.77 | RXRB (0.33) | — | |
| SCHEMBL29874340 | 0.77 | RXRB (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-11352376-B2 | Catalysts | BOREALIS AG (AT) | 2022-06-07 | — | — | US | disclosed |
| EP-3541823-B1 | CATALYSTS | BOREALIS AG (AT) | 2020-12-30 | — | — | EP | disclosed |
| US-20190308995-A1 | CATALYSTS | BOREALIS AG (AT) | 2019-10-10 | — | — | US | disclosed |
| EP-3541823-A1 | CATALYSTS | Borealis AG (AT) | 2019-09-25 | — | — | EP | disclosed |
| WO-2018091684-A1 | CATALYSTS | BOREALIS AG (AT) | 2018-05-24 | — | — | WO | disclosed |