⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24014940 | 0.84 | — | — | |
| SCHEMBL24897657 | 0.78 | — | — | |
| SCHEMBL15787947 | 0.71 | — | — | |
| SCHEMBL22137871 | 0.70 | EPHX1 (0.32) | — | |
| SCHEMBL388479 | 0.69 | — | — | |
| SCHEMBL21591959 | 0.69 | HTR2A (0.40) | — | |
| SCHEMBL20675889 | 0.69 | — | — | |
| SCHEMBL11922799 | 0.69 | TSHR (0.44) | — | |
| SCHEMBL7962608 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL3819655 | 0.67 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230062022-A1 | HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS | NUVATION BIO INC (US) | 2023-03-02 | — | — | US | disclosed |
| EP-1463529-B1 | PH-SENSITIVE POLYMERIC CONJUGATES OF AN ANTHRACYCLINE CANCEROSTATIC DRUG FOR TARGETED THERAPY | ZENTIVA KS (CZ) | 2009-08-19 | — | — | EP | disclosed |
| EP-1782833-A2 | pH-sensitive polymeric conjugates of an anthracycline cancerostatic drug for targeted therapy | ZENTIVA, A.S. (CZ) | 2007-05-09 | — | — | EP | disclosed |