⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24837124 | 0.73 | — | — | |
| SCHEMBL3268601 | 0.73 | — | — | |
| SCHEMBL2176757 | 0.71 | — | — | |
| SCHEMBL10197120 | 0.71 | — | — | |
| SCHEMBL19946008 | 0.71 | — | — | |
| SCHEMBL12146399 | 0.71 | — | — | |
| SCHEMBL18882611 | 0.71 | — | — | |
| SCHEMBL25068957 | 0.69 | — | — | |
| SCHEMBL23987160 | 0.68 | CHEK1 (0.35) | — | |
| SCHEMBL15893920 | 0.68 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230271935-A1 | IRE1 SMALL MOLECULE INHIBITORS | CORNELL UNIVERSITY | 2023-08-31 | — | — | US | disclosed |
| US-20230001008-A1 | COMPOSITIONS AND METHODS FOR TARGETING CELLULAR MOLECULES | KUMQUAT BIOSCIENCES INC. | 2023-01-05 | — | — | US | disclosed |
| WO-2022161420-A1 | CLASS OF HETEROAROMATIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF | 上海翊石医药科技有限公司 | 2022-08-04 | — | — | WO | disclosed |
| US-20210255193-A1 | LYSINE REACTIVE PROBES AND USES THEREOF | THE SCRIPPS RESEARCH INSTITUTE | 2021-08-19 | — | — | US | disclosed |
| US-10399996-B2 | Beta-lactamase inhibitors | VenatoRx Pharmaceuticals, Inc. (US) | 2019-09-03 | — | — | US | disclosed |
| US-10179769-B2 | Histone demethylase inhibitors | CELGENE QUANTICEL RESEARCH, INC. (US) | 2019-01-15 | — | — | US | disclosed |
| US-9896458-B2 | Compounds, compositions and methods | DENALI THERAPEUTICS INC. (US) | 2018-02-20 | — | — | US | disclosed |
| US-20180044296-A1 | HISTONE DEMETHYLASE INHIBITORS | CELGENE QUANTICEL RESEARCH, INC. (US) | 2018-02-15 | — | — | US | disclosed |