⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL930987 | 0.85 | — | — | |
| SCHEMBL3341894 | 0.81 | — | — | |
| SCHEMBL19208027 | 0.77 | ACHE (0.39) | — | |
| SCHEMBL27854953 | 0.77 | ALDH1A1 (0.43) | — | |
| SCHEMBL3337149 | 0.75 | ALDH1A1 (0.33) | — | |
| SCHEMBL82570 | 0.72 | — | — | |
| SCHEMBL2884891 | 0.67 | GABRA1 (0.55) | — | |
| SCHEMBL5872144 | 0.67 | ALDH1A1 (0.53) | — | |
| SCHEMBL2432721 | 0.67 | — | — | |
| Methyl Alcohol SCHEMBL28397318 | 0.65 | ALDH1A1 (0.64) | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-10324657-A | — | — | None | — | — | JP | disclosed |
| CN-118119626-A | Fused bicyclic heteroaryl compounds useful as NLRP3 inhibitors | 豪夫迈·罗氏有限公司 | 2024-05-31 | — | — | CN | disclosed |
| CN-108367179-A | TOPICAL DELIVERY SYSTEM FOR ACTIVE INGREDIENTS | 莱雅公司 | 2018-08-03 | — | — | CN | disclosed |
| CN-107072898-A | Composition in the form of a nanoemulsion or microemulsion or with a layered structure | 莱雅公司 | 2017-08-18 | — | — | CN | disclosed |
| CN-105051048-B | 1-hydroxy-benzoxaboroles as antiparasitic agents | 伊莱利利公司 | 2017-03-15 | — | — | CN | disclosed |
| US-6388044-B1 | THERMOSETTING POLYETHER; CROSSLINKING BY HEATING | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2002-05-14 | — | — | US | disclosed |
| JP-H10324657-A | POLYHYDROXYBENZENE DERIVATIVE AND PREVENTIVE AND THERAPEUTIC AGENT FOR BONE/CARTILAGE DISEASE COMPRISING THE SAME | HOECHST MARION ROUSSEL KK | 1998-12-08 | — | — | JP | disclosed |