⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4825808 | 1.00 | — | — | |
| SCHEMBL469827 | 1.00 | — | — | |
| SCHEMBL777007 | 0.72 | — | — | |
| SCHEMBL17827076 | 0.72 | — | — | |
| SCHEMBL3240862 | 0.69 | — | — | |
| SCHEMBL27304560 | 0.63 | — | — | |
| SCHEMBL9809345 | 0.63 | — | — | |
| SCHEMBL31580314 | 0.62 | TDP1 (0.40) | — | |
| SCHEMBL27751394 | 0.61 | — | — | |
| SCHEMBL24739 | 0.59 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117715642-A | Heterocyclic compounds and methods of use | 薛定谔公司 | 2024-03-15 | — | — | CN | disclosed |
| CN-111344287-B | Novel substituted biaryl compounds as indoleamine 2, 3-dioxygenase (IDO) inhibitors | 默沙东有限责任公司 | 2023-12-19 | — | — | CN | disclosed |
| CN-116600803-A | Macrocyclic urea orexin receptor agonists | 默沙东有限责任公司 | 2023-08-15 | — | — | CN | disclosed |
| CN-111433206-B | Compounds of formula (I) | 葛兰素史克知识产权开发有限公司 | 2023-07-07 | — | — | CN | disclosed |
| CN-116134018-A | 2-oxoimidazolidine-4-carboxamide as NAV1.8 inhibitor | 默沙东有限责任公司 | 2023-05-16 | — | — | CN | disclosed |
| CN-116056697-A | 2-oxo-oxazolidine-5-carboxamides as NAV1.8 inhibitors | 默沙东有限责任公司 | 2023-05-02 | — | — | CN | disclosed |
| CN-113646049-A | Pyrimidone derivatives as SHP2 antagonists | 默克专利有限公司 | 2021-11-12 | — | — | CN | disclosed |
| WO-2014145713-A2 | AMINOGLYCOSIDE ANTIBIOTICS WITH REDUCED OTOTOXICITY | THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) | 2014-09-18 | — | — | WO | disclosed |
| US-20120083474-A1 | HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 | JANSSEN PHARMACEUTICA NV (BE) | 2012-04-05 | — | — | US | disclosed |