⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1083170 | 0.76 | — | — | |
| SCHEMBL7857170 | 0.74 | NOS3 (0.36) | — | |
| SCHEMBL1268892 | 0.60 | — | — | |
| SCHEMBL225335 | 0.60 | — | — | |
| SCHEMBL2017885 | 0.58 | — | — | |
| SCHEMBL1268893 | 0.58 | — | — | |
| SCHEMBL4932232 | 0.58 | KDM4E (0.36) | — | |
| SCHEMBL8860815 | 0.57 | — | — | |
| Methyl Alcohol SCHEMBL11203341 | 0.56 | — | — | |
| SCHEMBL11879664 | 0.55 | — | — |
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-20040266864-A1 | Methods for treating depression and other CNS disorders using enantiomerically enriched desmethyl-and didesmethyl-metabolites of citalopram | SEPRACOR INC. | 2004-12-30 | — | — | US | disclosed |
| EP-1446396-A1 | METHODS FOR TREATING DEPRESSION AND OTHER CNS DISORDERS USING ENANTIOMERICALLY ENRICHED DESMETHYL- AND DIDESMETHYL-METABOLITES OF CITALOPRAM | Sepracor, Inc. (US) | 2004-08-18 | — | — | EP | disclosed |
| WO-2003040121-A1 | METHODS FOR TREATING DEPRESSION AND OTHER CNS DISORDERS USING ENANTIOMERICALLY ENRICHED DESMETHYL- AND DIDESMETHYL-METABOLITES OF CITALOPRAM | SEPRACOR, INC. (US) | 2003-05-15 | — | — | WO | disclosed |