⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8814427 | 0.61 | — | — | |
| SCHEMBL14754767 | 0.61 | — | — | |
| SCHEMBL1204601 | 0.60 | — | — | |
| SCHEMBL5707703 | 0.52 | — | — | |
| SCHEMBL6415653 | 0.50 | CA1 (0.30) | — | |
| SCHEMBL669547 | 0.49 | — | — | |
| SCHEMBL1393186 | 0.47 | KDM4E (0.34) | — | |
| SCHEMBL15402256 | 0.45 | — | — | |
| SCHEMBL13233862 | 0.45 | — | — | |
| SCHEMBL60145 | 0.41 | TTR (0.50) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6762307-B2 | 1-(4- FLUOROPHENYL)-1,3-DIHYDRO-5-ISOBENZOFURANCARBONITRILE IS REACTED WITH 3-(N,N-DIMETHYLAMINO)PROPYL-CHLORIDE IN THE PRESENCE OF METHYLSULFINYLMETHIDE AS CONDENSING AGENT, OXIDIZING TO FORM CITALOPRAM | H. LUNDBECK A/S (DK) | 2004-07-13 | — | — | US | disclosed |
| EP-1246812-B1 | METHOD FOR THE PREPARATION OF CITALOPRAM | LUNDBECK & CO AS H (DK) | 2004-03-17 | — | — | EP | disclosed |
| US-20030060641-A1 | Method for the preparation of citalopram | H. LUNDBECK A/S (DK) | 2003-03-27 | — | — | US | disclosed |
| CN-1398263-A | Method for prepn. of citaopram | LUNDBECK & CO AS H (DK) | 2003-02-19 | — | — | CN | disclosed |
| EP-1246812-A1 | METHOD FOR THE PREPARATION OF CITALOPRAM | H. Lundbeck A/S (DK) | 2002-10-09 | — | — | EP | disclosed |
| WO-2001047909-A1 | METHOD FOR THE PREPARATION OF CITALOPRAM | H. LUNDBECK A/S (DK) | 2001-07-05 | — | — | WO | disclosed |