⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31167 | 1.00 | — | — | |
| SCHEMBL3983773 | 1.00 | — | — | |
| Carbamic Acid SCHEMBL28645598 | 0.80 | BLM (0.56) | — | |
| SCHEMBL11509655 | 0.79 | BLM (0.48) | — | |
| SCHEMBL11509657 | 0.79 | BLM (0.48) | — | |
| Acetone SCHEMBL28483119 | 0.74 | TSHR (0.67) | — | |
| SCHEMBL29715827 | 0.73 | — | — | |
| SCHEMBL14269677 | 0.73 | — | — | |
| Butanedione SCHEMBL1424734 | 0.72 | TSHR (0.73) | — | |
| Acetic Acid SCHEMBL9001173 | 0.72 | NPSR1 (0.62) | — |
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-2022129953-A1 | SARS-COV-2 MPRO INHIBITOR COMPOUNDS | HEPTARES THERAPEUTICS LIMITED (GB) | 2022-06-23 | — | — | WO | disclosed |
| WO-2007056281-A2 | MULTIVALENT INDOLE COMPOUNDS AND USE THEREOF AS PHOSPHOLIPASE-A2 INHIBITORS | ILYPSA, INC. (US) | 2007-05-18 | — | — | WO | disclosed |
| WO-2007056184-A2 | AZAINDOLE COMPOUNDS AND USE THEREOF AS PHOSPHOLIPASE-A2 INHIBITORS | ILYPSA, INC. (US) | 2007-05-18 | — | — | WO | disclosed |
| WO-2003087127-A2 | ANTIMICROBIAL COMPOUNDS AGAINST STAPHYLOCOCCI, MYCOBACTERIA, AND OTHER INFECTIOUS AGENTS | EXEGENICS INC. (US) | 2003-10-23 | — | — | WO | disclosed |