⚠ 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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL3619328 | 0.96 | — | — | |
| SCHEMBL6547079 | 0.77 | ALDH1A1 (0.35) | — | |
| SCHEMBL12616548 | 0.74 | — | — | |
| SCHEMBL38183 | 0.74 | — | — | |
| SCHEMBL16566929 | 0.72 | ALDH1A1 (0.39) | — | |
| SCHEMBL5477839 | 0.72 | — | — | |
| SCHEMBL19445527 | 0.72 | — | — | |
| SCHEMBL14379798 | 0.72 | — | — | |
| SCHEMBL6230645 | 0.72 | — | — | |
| SCHEMBL4266363 | 0.72 | ALDH1A1 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-114895498-B | Method for preparing solid electrochromic device, solid electrolyte and application thereof | 深圳市光羿科技有限公司 | 2024-04-16 | — | — | CN | disclosed |
| US-20080200605-A1 | Method For Producing An Aqueous Polymer Dispersion | BASF AKTIENGESELLSCHAFT (DE) | 2008-08-21 | — | — | US | disclosed |
| EP-0836599-A1 | 1,6-DISUBSTITUTED ISOCHROMANS FOR TREATMENT OF MIGRAINE HEADACHES | PHARMACIA & UPJOHN COMPANY (US) | 1998-04-22 | — | — | EP | disclosed |
| WO-1997002259-A1 | 1,6-DISUBSTITUTED ISOCHROMANS FOR TREATMENT OF MIGRAINE HEADACHES | PHARMACIA & UPJOHN COMPANY (US) | 1997-01-23 | — | — | WO | disclosed |