⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1709256 | 0.88 | — | — | |
| Ammonia Solution, Strong SCHEMBL29003993 | 0.86 | KEAP1 (0.34) | — | |
| SCHEMBL15160704 | 0.78 | LTB4R (0.31) | — | |
| Formamide SCHEMBL2011773 | 0.78 | KEAP1 (0.34) | — | |
| SCHEMBL9355009 | 0.77 | — | — | |
| SCHEMBL12462034 | 0.77 | LTB4R (0.33) | — | |
| SCHEMBL5104136 | 0.77 | — | — | |
| Carbamic Acid SCHEMBL9006901 | 0.77 | ALOX5 (0.42) | — | |
| SCHEMBL17318736 | 0.77 | KEAP1 (0.33) | — | |
| SCHEMBL367774 | 0.75 | AKR1B1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1164574-C | Phenoxypropylamine compounds | ������ҩ��ʽ���� | 2004-09-01 | — | — | CN | disclosed |
| CN-1378533-A | Phenoxypropylamine compounds | MITSUBISHI PHARMACEUTICAL CO L (JP) | 2002-11-06 | — | — | CN | disclosed |