⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2582328 | 0.96 | CA1 (0.47) | — | |
| SCHEMBL21681 | 0.96 | — | — | |
| Methane SCHEMBL27881065 | 0.92 | — | — | |
| SCHEMBL16760664 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL5733160 | 0.92 | — | — | |
| Lithium SCHEMBL31511739 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL5925199 | 0.88 | CA1 (0.41) | — | |
| SCHEMBL10486665 | 0.85 | CA1 (0.39) | — | |
| SCHEMBL1146027 | 0.77 | CA2 (0.39) | — | |
| SCHEMBL10756128 | 0.77 | CA1 (0.33) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090088469-A1 | METHOD FOR THE PREPARATION OF CITALOPRAM | H. LUNDBECK A/S (DK) | 2009-04-02 | — | — | US | disclosed |
| EP-1159274-B1 | METHOD FOR THE PREPARATION OF CITALOPRAM | LUNDBECK & CO AS H (DK) | 2003-03-26 | — | — | EP | disclosed |
| US-20020077353-A1 | Method for the preparation of citalopram | H. LUNDBECK A/S (DK) | 2002-06-20 | — | — | US | disclosed |
| EP-1159274-A2 | METHOD FOR THE PREPARATION OF CITALOPRAM | H. Lundbeck A/S (DK) | 2001-12-05 | — | — | EP | disclosed |
| WO-2000013648-A2 | METHOD FOR THE PREPARATION OF CITALOPRAM | H. LUNDBECK A/S (DK) | 2000-03-16 | — | — | WO | disclosed |