⚠ 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 | |
|---|---|---|---|---|
| Malonic Acid SCHEMBL27964971 | 0.79 | LDHA (0.60) | — | |
| SCHEMBL14097428 | 0.78 | — | — | |
| SCHEMBL6263240 | 0.77 | — | — | |
| SCHEMBL517270 | 0.77 | — | — | |
| SCHEMBL1413249 | 0.76 | EGLN1 (0.47) | — | |
| SCHEMBL165376 | 0.74 | — | — | |
| Ammonia Solution, Strong SCHEMBL14935478 | 0.74 | LDHA (0.44) | — | |
| SCHEMBL527423 | 0.74 | LDHA (0.44) | — | |
| SCHEMBL6058674 | 0.74 | — | — | |
| SCHEMBL97405 | 0.74 | LDHA (0.38) | — |
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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1282619-B1 | PROCESSES FOR THE PREPARATION OF THIAZOLIDINEDIONE DERIVATIVES AND INTERMEDIATES | HOFFMANN LA ROCHE (CH) | 2005-06-22 | — | — | EP | claimed |
| US-20240270731-A1 | DEUTERATED COMPOUNDS | ALEBUND PHARMACEUTICALS (HONG KONG) LIMITED (CN) | 2024-08-15 | — | — | US | disclosed |
| EP-4384507-A1 | DEUTERATED COMPOUNDS | ALEBUND PHARMACEUTICALS (HONG KONG) LIMITED (HK) | 2024-06-19 | — | — | EP | disclosed |
| CN-116848095-B | Deuterated compounds | 礼邦生物医药(江苏)有限公司 | 2024-05-24 | — | — | CN | disclosed |
| CN-116848095-A | Deuterated compounds | 礼邦医药(香港)有限公司 | 2023-10-03 | — | — | CN | disclosed |
| WO-2023016440-A1 | DEUTERATED COMPOUNDS | ALEBUND PHARMACEUTICALS (HONG KONG) LIMITED (CN) | 2023-02-16 | — | — | WO | disclosed |
| CN-106146545-A | A kind of preparation method of antibiotic medicine intermediate | 江西富祥药业股份有限公司 | 2016-11-23 | — | — | CN | disclosed |
| CN-106008222-A | Preparation method for 4-halo-3-oxo-pentanoic acid-(4-nitrobenzene)methyl ester and product thereof | 江西富祥药业股份有限公司 | 2016-10-12 | — | — | CN | disclosed |
| EP-1441719-B1 | N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS | HOFFMANN LA ROCHE (CH) | 2011-03-30 | — | — | EP | disclosed |
| US-7803819-B2 | DPP IV inhibitors | HOFFMANN-LA ROCHE INC. (US) | 2010-09-28 | — | — | US | disclosed |
| US-20050096348-A1 | DPP IV inhibitors | BOEHRINGER MARKUS (CH) | 2005-05-05 | — | — | US | disclosed |
| US-6861440-B2 | DPP IV inhibitors | HOFFMANN-LA ROCHE INC. (US) | 2005-03-01 | — | — | US | disclosed |
| EP-1441719-A1 | N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2004-08-04 | — | — | EP | disclosed |
| US-20030130281-A1 | DPP IV inhibitors | HOFFMAN-LA ROCHE INC. | 2003-07-10 | — | — | US | disclosed |
| WO-2003037327-A1 | N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS | F. HOFFMANN-LA-ROCHE AG (CH) | 2003-05-08 | — | — | WO | disclosed |
| EP-0582261-A1 | Cephalosporin compounds and processes for the preparation thereof | LUCKY LTD. (KR) | 1994-02-09 | — | — | EP | disclosed |
| US-4001425-A | METHODS OF TREATING HYPERTENSION AND PHARMACEUTICAL COMPOSITIONS COMPRISING 1-TERTIARY-ALKYL-3-(SUBSTITUTED FURYL)UREAS AS ANTIHYPERTENSIVE AGENTS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1977-01-04 | — | — | US | disclosed |
| US-3969370-A | 1-Tertiary-alkyl-3-(substituted furyl)ureas as antihypertensive agents | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1976-07-13 | — | — | US | disclosed |
| US-3965168-A | CITRIC ACID INTERMEDIATE | ETHYL CORPORATION (US) | 1976-06-22 | — | — | US | disclosed |
| US-3960941-A | CHEMICAL INTERMEDIATE FOR CITRIC ACID | ETHYL CORPORATION (US) | 1976-06-01 | — | — | US | disclosed |