⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2846153 | 0.78 | KDM4E (0.31) | — | |
| SCHEMBL10883415 | 0.70 | — | — | |
| SCHEMBL933257 | 0.68 | — | — | |
| SCHEMBL17019719 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL21408262 | 0.67 | — | — | |
| SCHEMBL27674320 | 0.66 | — | — | |
| SCHEMBL4803305 | 0.65 | CYP1A2 (0.32) | — | |
| Formaldehyde SCHEMBL27690920 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL27863821 | 0.65 | — | — | |
| SCHEMBL1413144 | 0.65 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2002048116-A2 | INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE | BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) | 2002-06-20 | — | — | WO | claimed |
| WO-2024262911-A1 | NOVEL PYRAZOLO PYRIMIDINE-BASED COMPOUND AND USE THEREOF | 주식회사 에이조스바이오 | 2024-12-26 | — | — | WO | disclosed |
| CN-111620865-A | Heterocyclic compound, application thereof and pharmaceutical composition containing same | 苏州信诺维医药科技有限公司 | 2020-09-04 | — | — | CN | disclosed |
| WO-2002048116-A2 | INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE | BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) | 2002-06-20 | — | — | WO | disclosed |