⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22538 | 1.00 | — | — | |
| SCHEMBL115382 | 0.93 | — | — | |
| Ammonia Solution, Strong SCHEMBL423247 | 0.93 | — | — | |
| Bromide SCHEMBL3220866 | 0.93 | — | — | |
| SCHEMBL1846005 | 0.93 | — | — | |
| Phosphine SCHEMBL21056494 | 0.93 | — | — | |
| SCHEMBL830743 | 0.83 | — | — | |
| SCHEMBL1013573 | 0.83 | — | — | |
| SCHEMBL6230396 | 0.83 | — | — | |
| SCHEMBL7515149 | 0.77 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023182871-A1 | 3-PHENYLISOXAZOLE DERIVATIVE, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING EYE DISEASE, CONTAINING SAME AS ACTIVE INGREDIENT | 바스테라 주식회사 | 2023-09-28 | — | — | WO | disclosed |
| US-20170197971-A1 | 3-(Carboxymethyl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives | GRUENENTHAL GMBH (DE) | 2017-07-13 | — | — | US | disclosed |
| US-6710190-B1 | ANTIEPILEPTIC, ANTIDEPRESSANT, ANXIOLYTIC, ANTIARTHRITIC, ANTIINFLAMMATORY AND ANALGESIC AGENTS; NEURODEGENERATIVE AND GASTROINTESTINAL DISORDERS; IRRITABLE BOWEL SYNDROME | WARNER-LAMBERT COMPANY | 2004-03-23 | — | — | US | disclosed |