⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21376076 | 0.87 | SLC6A4 (0.32) | — | |
| SCHEMBL21376017 | 0.87 | SLC6A4 (0.32) | — | |
| SCHEMBL14139395 | 0.86 | KDM4E (0.34) | — | |
| SCHEMBL20804676 | 0.80 | — | — | |
| SCHEMBL9178966 | 0.80 | TSHR (0.32) | — | |
| SCHEMBL3931003 | 0.75 | — | — | |
| SCHEMBL3713521 | 0.74 | SMYD3 (0.37) | — | |
| SCHEMBL2279016 | 0.74 | OPRM1 (0.41) | — | |
| SCHEMBL2273115 | 0.74 | TYRO3 (0.32) | — | |
| SCHEMBL17176301 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-10189854-B2 | Substituted pyrimidine compounds | GRUENENTHAL GMBH (DE) | 2019-01-29 | — | — | US | disclosed |
| US-20170066776-A1 | Novel substituted pyrimidine compounds | GRUENENTHAL GMBH (DE) | 2017-03-09 | — | — | US | disclosed |
| EP-2055705-A1 | COMPOUND HAVING CYCLIC GROUP BOUND THERETO THROUGH SPIRO BINDING AND USE THEREOF | Ono Pharmaceutical CO., LTD. (JP) | 2009-05-06 | — | — | EP | disclosed |
| CN-1017800-B | TRICYCLIC COMPOUNDS | HOFFMANN LA ROCHE (CH) | 1992-08-12 | — | — | CN | disclosed |
| US-4864023-A | MICROBIOCIDES, BACTERICIDES | HOFFMANN-LA ROCHE INC. (US) | 1989-09-05 | — | — | US | disclosed |
| US-4801584-A | ANTIMICROBIAL | HOFFMANN-LA ROCHE INC. (US) | 1989-01-31 | — | — | US | disclosed |
| US-4771055-A | BACTERICIDES | WARNER-LAMBERT COMPANY (US) | 1988-09-13 | — | — | US | disclosed |
| CN-87106838-A | Tricyclic compound | — | 1988-05-11 | — | — | CN | disclosed |
| EP-0259804-A2 | Pyrido[3,2,1-ij]-1,3,4-benzoxadiazine derivatives, process for their preparation, resulting pharmaceutical preparations and intermediates for use in the process | F. HOFFMANN-LA ROCHE AG (CH) | 1988-03-16 | — | — | EP | disclosed |