⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL828275 | 0.97 | — | — | |
| SCHEMBL21936117 | 0.88 | — | — | |
| SCHEMBL24900913 | 0.88 | — | — | |
| SCHEMBL18911757 | 0.88 | — | — | |
| SCHEMBL27054564 | 0.82 | — | — | |
| SCHEMBL24373573 | 0.82 | — | — | |
| SCHEMBL20614491 | 0.75 | — | — | |
| SCHEMBL21909535 | 0.75 | NPSR1 (0.31) | — | |
| SCHEMBL24900914 | 0.75 | NPSR1 (0.31) | — | |
| SCHEMBL612132 | 0.75 | — | — |
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-20180169274-A1 | NEW GADOLINIUM CHELATE COMPOUNDS FOR USE IN MAGNETIC RESONANCE IMAGING | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2018-06-21 | — | — | US | disclosed |
| EP-2401280-B1 | Cyclopropyl fused indolobenzazepine hcv ns5b inhibitors | BRISTOL MYERS SQUIBB CO (US) | 2013-05-01 | — | — | EP | disclosed |
| US-8143244-B2 | Cyclopropyl fused indolobenzazepine HCV NS5B inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-03-27 | — | — | US | disclosed |
| US-8143244-B2 | Cyclopropyl fused indolobenzazepine HCV NS5B inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-03-27 | — | — | US | disclosed |
| WO-2010099159-A1 | CYCLOPROPYL FUSED INDOLOBENZAZEPINE HCV NS5B INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2010-09-02 | — | — | WO | disclosed |
| US-20100216774-A1 | Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2010-08-26 | — | — | US | disclosed |
| US-20100216774-A1 | Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2010-08-26 | — | — | US | disclosed |