⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20207821 | 1.00 | — | — | |
| SCHEMBL17293252 | 0.97 | DNM1 (0.40) | — | |
| SCHEMBL86196 | 0.92 | — | — | |
| SCHEMBL23350256 | 0.92 | — | — | |
| SCHEMBL1937278 | 0.92 | — | — | |
| SCHEMBL29321109 | 0.87 | CYP3A4 (0.34) | — | |
| SCHEMBL11510560 | 0.83 | ADH1B (0.41) | — | |
| SCHEMBL9796748 | 0.81 | NFKB1 (0.39) | — | |
| Hydrochloric Acid SCHEMBL8644914 | 0.81 | TRPV1 (0.34) | — | |
| SCHEMBL86166 | 0.80 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-4310093-A1 | AMINO ACID DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION FOR TREATING HEPATITIS, COMPRISING SAME | Prazertherapeutics Inc. (KR) | 2024-01-24 | — | — | EP | disclosed |
| US-20230338571-A1 | THIENOAZEPINE IMMUNOCONJUGATES, AND USES THEREOF | BOLT BIOTHERAPEUTICS, INC. (US) | 2023-10-26 | — | — | US | disclosed |
| WO-2022171128-A1 | PYRAZOLO[3,4-D]PYRIMIDINE-3-KETONE DERIVATIVE SERVING AS WEE-1 INHIBITOR | 微境生物医药科技(上海)有限公司 | 2022-08-18 | — | — | WO | disclosed |
| EP-1963273-A2 | SUBSTITUTED ISOQUINOLINE-1,3(2H,4H)-DIONES, 1-THIOXO-1,4-DIHYDRO-2H-ISOQUINOLINE-3-ONES AND 1,4-DIHYDRO-3(2H)-ISOQUINOLONES AND USE THEREOF AS KINASE INHIBITORS | Wyeth a Corporation of the State of Delaware (US) | 2008-09-03 | — | — | EP | disclosed |
| WO-2007075783-A2 | SUBSTITUTED ISOQUINOLINE-1,3(2H,4H)-DIONES, 1-THIOXO-1,4-DIHYDRO-2H-ISOQUINOLINE-3-ONES AND 1,4-DIHYDRO-3(2H)-ISOQUINOLONES AND USE THEREOF AS KINASE INHIBITOR | WYETH (US) | 2007-07-05 | — | — | WO | disclosed |