⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21651824 | 0.92 | — | — | |
| SCHEMBL18312210 | 0.89 | — | — | |
| SCHEMBL11224485 | 0.69 | — | — | |
| SCHEMBL17460188 | 0.67 | — | — | |
| SCHEMBL21885809 | 0.65 | — | — | |
| SCHEMBL10815361 | 0.62 | — | — | |
| SCHEMBL8444244 | 0.61 | — | — | |
| SCHEMBL20625563 | 0.61 | — | — | |
| SCHEMBL11883020 | 0.61 | — | — | |
| SCHEMBL10959852 | 0.58 | MGLL (0.53) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022129259-A1 | NEW QUINAZOLINONE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2022-06-23 | — | — | WO | disclosed |
| US-5817651-A | ANALGESICS, RHEUMATIC DISEASES, ANTIINFLAMMATORY AGENTS | SANOFI (FR) | 1998-10-06 | — | — | US | disclosed |
| US-5607933-A | METHODS FOR TREATMENT OF GLAUCOMA AND FOR RELIEF OF PAIN AND RHEUMATIC AND INFLAMMATORY CONDITIONS BY ADMINISTERING THE INDOLES; N-HETERYL IS 2-PIPERAZINYL | STERLING WINTHROP INC. (US) | 1997-03-04 | — | — | US | disclosed |
| US-5324737-A | Analgesics, antirheumatic and antiinflammatory agents, glaucoma | STERLING WINTHROP INC. (US) | 1994-06-28 | — | — | US | disclosed |
| US-5068234-A | Analgesics, rheumatic diseases, antiinflammatory agents or antiglaucoma | STERLING DRUG INC. (US) | 1991-11-26 | — | — | US | disclosed |