⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19174126 | 0.81 | — | — | |
| SCHEMBL21779980 | 0.72 | KDM4E (0.31) | — | |
| SCHEMBL6992919 | 0.69 | HTT (0.34) | — | |
| SCHEMBL19173377 | 0.68 | CCNE2 (0.30) | — | |
| SCHEMBL19024146 | 0.67 | PDE10A (0.31) | — | |
| SCHEMBL812036 | 0.65 | PDE10A (0.48) | — | |
| SCHEMBL21455325 | 0.64 | IGF1R (0.33) | — | |
| SCHEMBL18023083 | 0.63 | S1PR1 (0.35) | — | |
| SCHEMBL16796040 | 0.63 | LMNA (0.31) | — | |
| SCHEMBL16398352 | 0.63 | NPC1 (0.31) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11053235-B2 | Substituted 1,4-dihydropyrimidines for the treatment of HBV infection or HBV-induced diseases | Janssen Sciences Ireland Unlimited Company (IE) | 2021-07-06 | — | — | US | disclosed |
| US-20200048242-A1 | DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES | Janssen Sciences Ireland Unlimited Company (IE) | 2020-02-13 | — | — | US | disclosed |