⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27952975 | 0.81 | — | — | |
| SCHEMBL2735672 | 0.77 | — | — | |
| SCHEMBL3533443 | 0.75 | — | — | |
| SCHEMBL28186359 | 0.73 | — | — | |
| SCHEMBL9679929 | 0.71 | LOXL2 (0.31) | — | |
| SCHEMBL10159724 | 0.71 | GABRA1 (0.35) | — | |
| SCHEMBL8985022 | 0.67 | — | — | |
| SCHEMBL19935701 | 0.66 | PTGS1 (0.39) | — | |
| SCHEMBL4193830 | 0.65 | — | — | |
| SCHEMBL11479236 | 0.65 | L3MBTL1 (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-20220348590-A1 | CYCLOOXYGENASE-2 INHIBITORS AND USES THEREOF | THE BOARD INSTITUTE, INC. (US) | 2022-11-03 | — | — | US | disclosed |
| EP-4027993-A1 | CYCLOOXYGENASE-2 INHIBITORS AND USES THEREOF | The Broad Institute Inc. (US) | 2022-07-20 | — | — | EP | disclosed |
| WO-2021072156-A1 | ORAL COMPLEMENT FACTOR D INHIBITORS | BIOCRYST PHARMACEUTICALS, INC. (US) | 2021-04-15 | — | — | WO | disclosed |
| WO-2021050700-A1 | CYCLOOXYGENASE-2 INHIBITORS AND USES THEREOF | THE BROAD INSTITUTE, INC. (US) | 2021-03-18 | — | — | WO | disclosed |
| US-20180098952-A1 | INACTIVATORS OF TOXOPLASMA GONDII ORNITHINE AMINOTRANSFERASE FOR TREATING TOXOPLASMOSIS AND MALARIA | NORTHWESTERN UNIVERSITY (US) | 2018-04-12 | — | — | US | disclosed |