⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28507565 | 1.00 | — | — | |
| SCHEMBL29713466 | 1.00 | — | — | |
| SCHEMBL23106764 | 0.90 | ACHE (0.32) | — | |
| SCHEMBL15879574 | 0.83 | — | — | |
| SCHEMBL18849158 | 0.83 | — | — | |
| SCHEMBL15879575 | 0.83 | — | — | |
| SCHEMBL21873149 | 0.82 | CYP11B1 (0.30) | — | |
| SCHEMBL29713454 | 0.82 | CYP11B1 (0.30) | — | |
| SCHEMBL21922441 | 0.75 | — | — | |
| SCHEMBL21923448 | 0.69 | — | — |
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-11180509-B2 | Thiazolidone spiro pyrimidine trione compound, preparation method therefor and uses thereof | SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) | 2021-11-23 | — | — | US | disclosed |
| US-20210079019-A1 | THIAZOLIDONE SPIRO PYRIMIDINE TRIONE COMPOUND, PREPARATION METHOD THEREFOR AND USES THEREOF | SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) | 2021-03-18 | — | — | US | disclosed |
| EP-3643719-A1 | THIAZOLIDONE SPIRO PYRIMIDINE TRIONE COMPOUND, PREPARATION METHOD THEREFOR AND USES THEREOF | Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) | 2020-04-29 | — | — | EP | disclosed |