⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8814573 | 0.89 | ALDH1A1 (0.48) | — | |
| SCHEMBL340868 | 0.86 | GPR55 (0.46) | — | |
| SCHEMBL30490817 | 0.80 | KDM4E (0.46) | — | |
| SCHEMBL14064624 | 0.80 | KDM4E (0.46) | — | |
| SCHEMBL5963023 | 0.80 | ALDH1A1 (0.46) | — | |
| SCHEMBL9514367 | 0.80 | GAA (0.44) | — | |
| SCHEMBL9770378 | 0.79 | GPR55 (0.44) | — | |
| SCHEMBL9770383 | 0.79 | GPR55 (0.44) | — | |
| SCHEMBL6041838 | 0.79 | ALDH1A1 (0.45) | — | |
| SCHEMBL30725599 | 0.79 | ALDH1A1 (0.45) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0201071-B1 | 2-SUBSTITUTED-1-NAPHTHOLS AS 5-LIPOXYGENASE INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1992-03-04 | — | — | EP | disclosed |
| US-5026759-A | Antiinflammatory agents respiratory system disorders | DU PONT MERCK PHARMACEUTICAL (US) | 1991-06-25 | — | — | US | disclosed |
| US-4985442-A | ANTIINFLAMMATORY, LUNG DISEASES, PSORIASIS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1991-01-15 | — | — | US | disclosed |
| US-4985435-A | TREATMENT OF INFLAMMATION, OBSTRUCTIVE LUNG DISEASES AND PSORIASIS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1991-01-15 | — | — | US | disclosed |
| US-4906636-A | 2-Substituted-1-naphthols as 5-lipoxygenase inhibitors | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1990-03-06 | — | — | US | disclosed |
| US-4833164-A | ANTIINFLAMMATORY AGENTS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1989-05-23 | — | — | US | disclosed |
| EP-0201071-A2 | 2-Substituted-1-naphthols as 5-lipoxygenase inhibitors | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1986-11-12 | — | — | EP | disclosed |