⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31707457 | 0.73 | ALDH1A1 (0.33) | — | |
| SCHEMBL278226 | 0.73 | — | — | |
| SCHEMBL5671224 | 0.73 | — | — | |
| SCHEMBL11602315 | 0.71 | — | — | |
| SCHEMBL18516610 | 0.71 | ALDH1A1 (0.40) | — | |
| SCHEMBL18822560 | 0.71 | — | — | |
| SCHEMBL24729165 | 0.69 | — | — | |
| SCHEMBL11708169 | 0.69 | — | — | |
| SCHEMBL13639991 | 0.69 | — | — | |
| SCHEMBL31707499 | 0.69 | ALDH1A1 (0.30) | — |
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-20180079744-A1 | METHOD OF PREPARATION FOR LEDIPASVIR AND DERIVATIVE THEREOF, AND INTERMEDIATE COMPOUND FOR PREPARATION OF LEDIPASVIR | SHANGHAI FOREFRONT PHARMACEUTICAL CO LTD (CN) | 2018-03-22 | — | — | US | disclosed |
| EP-3272747-A1 | METHOD OF PREPARATION FOR LEDIPASVIR AND DERIVATIVE THEREOF, AND INTERMEDIATE COMPOUND FOR PREPARATION OF LEDIPASVIR | Shanghai Forefront Pharmceutical Co., Ltd (CN) | 2018-01-24 | — | — | EP | disclosed |