⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27814263 | 0.96 | ALDH1A1 (0.47) | — | |
| SCHEMBL149810 | 0.96 | — | — | |
| SCHEMBL8754040 | 0.93 | — | — | |
| SCHEMBL11496974 | 0.93 | — | — | |
| Acrylonitrile SCHEMBL25260377 | 0.87 | — | — | |
| Benzene SCHEMBL28117538 | 0.87 | ALDH1A1 (0.41) | — | |
| SCHEMBL9622405 | 0.84 | — | — | |
| SCHEMBL27620289 | 0.82 | ALDH1A1 (0.38) | — | |
| SCHEMBL27926144 | 0.80 | ALDH1A1 (0.48) | — | |
| SCHEMBL3470455 | 0.80 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050085534-A1 | Process for the preparation of citalopram | RANBAXY LABORATORIES (IN) | 2005-04-21 | — | — | US | disclosed |
| EP-1370545-A4 | PROCESS FOR THE PREPARATION OF CITALOPRAM | RANBAXY LAB LTD (IN) | 2005-03-16 | — | — | EP | disclosed |
| EP-1370545-A1 | PROCESS FOR THE PREPARATION OF CITALOPRAM | Ranbaxy Laboratories, Limited (IN) | 2003-12-17 | — | — | EP | disclosed |
| US-6586616-B1 | Cyanation and esterification of 3,4-epoxybutyric acid sodium salts to form chemical intermediates for antilipemic agents; by-product inhibition | SAMSUNG FINE CHEMICALS CO., LTD. (KR) | 2003-07-01 | — | — | US | disclosed |
| EP-1149068-A4 | A PROCESS FOR PREPARING (R)-4-CYANO-3-HYDROXYBUTYRIC ACID ESTER | SAMSUNG FINE CHEMICALS CO LTD (KR) | 2003-01-02 | — | — | EP | disclosed |
| WO-2002072565-A1 | PROCESS FOR THE PREPARATION OF CITALOPRAM | RANBAXY LABORATORIES LIMITED (IN) | 2002-09-19 | — | — | WO | disclosed |
| EP-1149068-A1 | A PROCESS FOR PREPARING (R)-4-CYANO-3-HYDROXYBUTYRIC ACID ESTER | Samsung Fine Chemicals Co., Ltd. (KR) | 2001-10-31 | — | — | EP | disclosed |
| WO-2000046186-A1 | A PROCESS FOR PREPARING (R)-4-CYANO-3-HYDROXYBUTYRIC ACID ESTER | SAMSUNG FINE CHEMICALS CO., LTD (KR) | 2000-08-10 | — | — | WO | disclosed |
| US-5075337-A | Treating convulsions | G. D. SEARLE & CO. (US) | 1991-12-24 | — | — | US | disclosed |
| US-4639468-A | Derivatives of glycinamide, their preparation and their use | CONTINENTAL PHARMA INC. (BE) | 1987-01-27 | — | — | US | disclosed |