⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15006071 | 0.70 | AURKA (0.50) | — | |
| SCHEMBL12801016 | 0.70 | — | — | |
| SCHEMBL5173173 | 0.70 | — | — | |
| SCHEMBL10002540 | 0.67 | — | — | |
| SCHEMBL15885566 | 0.67 | ALDH1A1 (0.37) | — | |
| SCHEMBL21317632 | 0.67 | — | — | |
| SCHEMBL20843915 | 0.67 | — | — | |
| SCHEMBL20843904 | 0.67 | — | — | |
| SCHEMBL5157095 | 0.65 | — | — | |
| SCHEMBL10002537 | 0.64 | CDK8 (0.51) | — |
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-3458069-B1 | PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF | MERSANA THERAPEUTICS INC (US) | 2023-07-05 | — | — | EP | disclosed |
| US-20210047296-A1 | NON-PLATINUM METAL COMPLEXES FOR EXCIMER BASED SINGLE DOPANT WHITE ORGANIC LIGHT EMITTING DIODES | ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY | 2021-02-18 | — | — | US | disclosed |
| US-10793546-B2 | Non-platinum metal complexes for excimer based single dopant white organic light emitting diodes | ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) | 2020-10-06 | — | — | US | disclosed |
| CN-108409748-A | A kind of cumarin simultaneously [4,3-d] pyrazolo [3,4-b] pyridine derivate and its synthetic method | 苏州大学 | 2018-08-17 | — | — | CN | disclosed |
| US-20170305881-A1 | NON-PLATINUM METAL COMPLEXES FOR EXCIMER BASED SINGLE DOPANT WHITE ORGANIC LIGHT EMITTING DIODES | UNITED STATES DEPARTMENT OF ENERGY | 2017-10-26 | — | — | US | disclosed |