⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28991670 | 0.92 | — | — | |
| SCHEMBL5078489 | 0.89 | DNM1 (0.42) | — | |
| SCHEMBL1530922 | 0.89 | DNM1 (0.42) | — | |
| SCHEMBL10050128 | 0.81 | — | — | |
| SCHEMBL11655457 | 0.81 | — | — | |
| SCHEMBL13496566 | 0.81 | — | — | |
| Tetradecylamine SCHEMBL28102760 | 0.79 | DNM1 (0.54) | — | |
| SCHEMBL2337154 | 0.78 | — | — | |
| SCHEMBL28693934 | 0.77 | — | — | |
| Ammonia Solution, Strong SCHEMBL9441914 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101001612-A | Controlled release dosage forms for gamma aminobutyric acid receptor agonists | IMPAX LABORATORIES INC (US) | 2007-07-18 | — | — | CN | disclosed |
| CN-1596141-A | Conjugated antipsychotics and uses thereof | RAMOT AT TEL AVIA UNIVERSITY L (IL) | 2005-03-16 | — | — | CN | disclosed |
| EP-0533352-A2 | Gaba receptor agonists to treat bladder instability | LYNXVALE LIMITED (GB) | 1993-03-24 | — | — | EP | disclosed |