⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3509291 | 0.79 | — | — | |
| SCHEMBL13465226 | 0.77 | — | — | |
| SCHEMBL830187 | 0.74 | CYP1A2 (0.37) | — | |
| SCHEMBL1422106 | 0.74 | — | — | |
| SCHEMBL8302413 | 0.74 | SORD (0.41) | — | |
| SCHEMBL2632841 | 0.74 | TAAR1 (0.41) | — | |
| SCHEMBL10267302 | 0.74 | RXRA (0.33) | — | |
| SCHEMBL11334528 | 0.73 | — | — | |
| SCHEMBL16991708 | 0.73 | — | — | |
| SCHEMBL10169537 | 0.73 | — | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023171783-A1 | PYRAZOLE COMPOUND, AND NOXIOUS ORGANISM CONTROL AGENT CONTAINING SAME AS ACTIVE INGREDIENT | 三井化学アグロ株式会社 | 2023-09-14 | — | — | WO | disclosed |
| CN-105658649-B | 1- (piperazine -1- base) -2- ([1,2,4] triazol-1-yl)-ethanone derivatives | 爱杜西亚药品有限公司 | 2019-03-22 | — | — | CN | disclosed |
| CN-106103426-B | 8- (piperazine -1- base) -1,2,3,4- tetrahydro-isoquinoline derivative | 爱杜西亚药品有限公司 | 2019-03-19 | — | — | CN | disclosed |
| CN-108093636-A | Indoleamine 2, 3-dioxygenase inhibitors for the treatment of cancer | 百时美施贵宝公司 | 2018-05-29 | — | — | CN | disclosed |
| CN-108024992-A | Aryl, Heteroaryl and Heterocyclic Compounds for the Treatment of Medical Disorders | 艾其林医药公司 | 2018-05-11 | — | — | CN | disclosed |
| CN-107743481-A | Indoleamine 2, 3-dioxygenase inhibitors for the treatment of cancer | 百时美施贵宝公司 | 2018-02-27 | — | — | CN | disclosed |
| CN-107743490-A | For the indoleamine 2 for the treatment of cancer, 3 dioxygenase inhibitors | 百时美施贵宝公司 | 2018-02-27 | — | — | CN | disclosed |
| CN-107286129-A | A kind of 2- ethyls -5-（Piperidin-4-yl）The preparation method of pyrimidine | 湖南华腾制药有限公司 | 2017-10-24 | — | — | CN | disclosed |
| US-20170275298-A1 | INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL | WUXI APPTEC (SHANGHAI) CO., LTD. (CN) | 2017-09-28 | — | — | US | disclosed |
| CN-104395297-B | Sulfonamide derivatives and pharmaceutical use thereof | AJINOMOTO CO.,INC. (JP) | 2016-05-04 | — | — | CN | disclosed |
| CN-102341108-B | PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH ZINC BINDING MOIETY | CURIS INC | 2015-05-27 | — | — | CN | disclosed |
| CN-104395297-A | Sulfonamide derivatives and pharmaceutical use thereof | AJINOMOTO KK | 2015-03-04 | — | — | CN | disclosed |