⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15452 | 1.00 | — | — | |
| SCHEMBL16104649 | 1.00 | — | — | |
| Iodide SCHEMBL1832977 | 0.95 | — | — | |
| Bromide SCHEMBL437926 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL2328661 | 0.95 | — | — | |
| Ammonia Solution, Strong SCHEMBL10685077 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL3901710 | 0.91 | — | — | |
| Iodide SCHEMBL3901701 | 0.91 | ALDH1A1 (0.39) | — | |
| Trimethylammonium SCHEMBL28009466 | 0.88 | — | — | |
| Alcohol SCHEMBL304526 | 0.84 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20100222257-A1 | SUBSTITUTED PHENETHYLAMINES | AUSPEX PHARMACEUTICALS, INC. (US) | 2010-09-02 | — | — | US | disclosed |
| US-7745665-B2 | Substituted phenethylamines | AUSPEX PHARMACEUTICALS, INC. (US) | 2010-06-29 | — | — | US | disclosed |
| WO-2008151179-A2 | SUBSTITUTED PHENETHYLAMINES | AUSPEX PHARMACEUTICALS, INC. (US) | 2008-12-11 | — | — | WO | disclosed |
| US-20080300316-A1 | isotopically enriched phenylephrine derivatives, used for the treatment and/or management of nasal congestion, headaches, asthma, chronic obstructive pulmonary diseases, ischemia, hypotension, and/or any disorder ameliorated by modulating alpha-adrenergic receptors | AUSPEX PHARMACEUTICALS, INC. (US) | 2008-12-04 | — | — | US | disclosed |