⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21682379 | 0.81 | GPR174 (0.31) | — | |
| SCHEMBL12443703 | 0.72 | MEN1 (0.39) | — | |
| SCHEMBL1147121 | 0.71 | — | — | |
| SCHEMBL25882969 | 0.69 | — | — | |
| SCHEMBL12012103 | 0.68 | HSD17B10 (0.41) | — | |
| SCHEMBL14959695 | 0.68 | ACHE (0.48) | — | |
| SCHEMBL4071211 | 0.68 | — | — | |
| SCHEMBL9534277 | 0.67 | SMN1; SMN2 (0.49) | — | |
| SCHEMBL22319222 | 0.67 | TSHR (0.31) | — | |
| SCHEMBL12081102 | 0.67 | ALDH1A1 (0.36) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230083012-A1 | DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES | JOHNSON & JOHNSON (CHINA) INVESTMENT LTD. (CN) | 2023-03-16 | — | — | US | disclosed |
| EP-3601282-B1 | NOVEL PYRIDO[2,3-B]INDOLE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION | HOFFMANN LA ROCHE (CH) | 2021-07-21 | — | — | EP | disclosed |
| US-20200339603-A1 | Novel pyrido[2,3-b]indole compounds for the treatment and prophylaxis of bacterial infection | HOFFMANN-LA ROCHE INC. (US) | 2020-10-29 | — | — | US | disclosed |
| US-10662203-B2 | Pyrido[2,3-b]indole compounds for the treatment and prophylaxis of bacterial infection | HOFFMANN-LA ROCHE INC. (US) | 2020-05-26 | — | — | US | disclosed |
| EP-3601282-A1 | NOVEL PYRIDO[2,3-B]INDOLE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION | H. Hoffnabb-La Roche Ag (CH) | 2020-02-05 | — | — | EP | disclosed |
| US-20180327425-A1 | Novel pyrido[2,3-b]indole compounds for the treatment and prophylaxis of bacterial infection | HOFFMANN-LA ROCHE INC. (US) | 2018-11-15 | — | — | US | disclosed |
| WO-2018178041-A1 | Novel pyrido[2,3-b]indole compounds for the treatment and prophylaxis of bacterial infection | F. HOFFMANN-LA ROCHE AG (CH) | 2018-10-04 | — | — | WO | disclosed |