⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28223450 | 0.78 | ALDH1A1 (0.36) | — | |
| SCHEMBL4654198 | 0.74 | SLC6A4 (0.32) | — | |
| SCHEMBL6533341 | 0.74 | — | — | |
| SCHEMBL4193068 | 0.74 | — | — | |
| SCHEMBL4584287 | 0.72 | — | — | |
| SCHEMBL10345618 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL10605683 | 0.70 | — | — | |
| SCHEMBL370706 | 0.70 | — | — | |
| SCHEMBL4252224 | 0.70 | — | — | |
| SCHEMBL11009622 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-RE43244-E1 | Phenylethylamines and condensed rings variants as prodrugs of catecholamines, and their use | H. LUNDBECK A/S (DK) | 2012-03-13 | — | — | US | disclosed |
| US-RE42802-E1 | Phenylethylamines and condensed rings variants as prodrugs of catecholamines, and their use | H. LUNDBECK A/S (DK) | 2011-10-04 | — | — | US | disclosed |
| US-6998405-B2 | Parkinson's and Huntington's disease; psychoses, impotence, renal or heart failure, schizophrenia | H. LUNDBECK A/S (DK) | 2006-02-14 | — | — | US | disclosed |
| US-20040138281-A1 | Phenylethylamines and condensed rings variants as prodrugs of catecholamines, and their use | AXON BIOCHEMICALS B.V. (NL) | 2004-07-15 | — | — | US | disclosed |
| US-6683087-B2 | TREATMENT OF PARKINSON'S DISEASE, PSYCHOSES, HUNTINGTON'S DISEASE, IMPOTENCE, RENAL FAILURE, HEART FAILURE OR HYPERTENSION | AXON BIOCHEMICALS B.V. (NL) | 2004-01-27 | — | — | US | disclosed |
| US-20030087948-A1 | Phenylethylamines and condensed rings variants as prodrugs of catecholamines, and their use | H. LUNDBECK A/S (DK) | 2003-05-08 | — | — | US | disclosed |
| EP-1274411-A1 | PHENYLETHYLAMINES AND CONDENSED RINGS VARIANTS AS PRODRUGS OF CATECHOLAMINES, AND THEIR USE | Axon Biochemicals B.V. (NL) | 2003-01-15 | — | — | EP | disclosed |
| WO-2001078713-A1 | PHENYLETHYLAMINES AND CONDENSED RINGS VARIANTS AS PRODRUGS OF CATECHOLAMINES, AND THEIR USE | AXON BIOCHEMICALS B.V. (NL) | 2001-10-25 | — | — | WO | disclosed |