⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6976302 | 0.70 | ADRA2A (0.41) | — | |
| SCHEMBL8405586 | 0.69 | CYP3A4 (0.33) | — | |
| SCHEMBL8403305 | 0.69 | ADRA2A (0.35) | — | |
| SCHEMBL8405691 | 0.69 | — | — | |
| SCHEMBL7206665 | 0.65 | ADRA2A (0.32) | — | |
| SCHEMBL7207406 | 0.62 | MTNR1A (0.31) | — | |
| SCHEMBL8403301 | 0.62 | TDP1 (0.42) | — | |
| SCHEMBL6585442 | 0.62 | PTPRC (0.33) | — | |
| SCHEMBL6583670 | 0.62 | PARP1 (0.34) | — | |
| SCHEMBL8405584 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5965595-A | SIDE EFFECT REDUCTION; TREATING NASAL CONGESTION AND OTHER ALPHA-2 ADRENORECEPTOR MODULATED DISORDERS, WILL NOT CAUSE HYPERTENSION | THE PROCTER & GAMBLE COMPANY (US) | 1999-10-12 | — | — | US | disclosed |
| US-5914342-A | 2-imidazolinylamino heterocyclic compounds useful as alpha-2 adrenoceptor agonists | THE PROCTER & GAMBLE COMPANY (US) | 1999-06-22 | — | — | US | disclosed |
| US-5663189-A | RESPIRATORY, EYES, GASTROINTESTINAL | THE PROCTER & GAMBLE COMPANY (US) | 1997-09-02 | — | — | US | disclosed |