⚠ 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 | |
|---|---|---|---|---|
| Isopropylamine SCHEMBL30440281 | 0.72 | — | — | |
| Isopropylamine SCHEMBL19813885 | 0.72 | — | — | |
| SCHEMBL22719 | 0.72 | — | — | |
| Isopropylamine SCHEMBL2909 | 0.72 | — | — | |
| SCHEMBL137217 | 0.72 | — | — | |
| SCHEMBL1773891 | 0.67 | — | — | |
| Isopropylamine SCHEMBL11167187 | 0.67 | — | — | |
| Ethane SCHEMBL7149441 | 0.67 | — | — | |
| Isopropylamine SCHEMBL2302157 | 0.67 | — | — | |
| Isopropylamine SCHEMBL20769333 | 0.67 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0838217-B1 | Cosmetic composition containing neuropeptide Y receptor antagonist | SANOFI SYNTHELABO (FR) | 2003-01-15 | — | — | EP | disclosed |
| EP-0666847-B1 | TRYPTAMINE ANALOGS WITH 5-HT1D SELECTIVITY | ALLELIX BIOPHARMA (CA) | 1998-06-17 | — | — | EP | disclosed |
| EP-0758320-A1 | TRYPTAMINE DERIVATIVES AS 5-HT-1D RECEPTOR LIGANDS | Allelix Biopharmaceuticals Inc. (CA) | 1997-02-19 | — | — | EP | disclosed |
| US-5504101-A | TRYPTAMINE ANALOGS | ALLELIX BIOPHARMACEUTICALS, INC. (CA) | 1996-04-02 | — | — | US | disclosed |
| US-5496957-A | 5-HYDOXYTRYPTAMINE | VIRGINIA COMMONWEALTH UNIVERSITY (US) | 1996-03-05 | — | — | US | disclosed |
| WO-1995030655-A1 | TRYPTAMINE DERIVATIVES AS 5-HT-1D RECEPTOR LIGANDS | ALLELIX BIOPHARMACEUTICALS INC. (CA) | 1995-11-16 | — | — | WO | disclosed |
| EP-0666847-A1 | TRYPTAMINE ANALOGS WITH 5-HT1D SELECTIVITY | Allelix Biopharmaceuticals Inc. (CA) | 1995-08-16 | — | — | EP | disclosed |
| WO-1995006638-A1 | TRYPTAMINE ANALOGS WITH 5-HT1D SELECTIVITY | ALLELIX BIOPHARMACEUTICALS INC. (CA) | 1995-03-09 | — | — | WO | disclosed |