⚠ 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL164660 | 0.97 | TSHR (0.47) | — | |
| Iodide SCHEMBL8772817 | 0.97 | TSHR (0.47) | — | |
| Hydrochloric Acid SCHEMBL1445738 | 0.76 | TSHR (0.42) | — | |
| Bromide SCHEMBL1446266 | 0.76 | TSHR (0.42) | — | |
| SCHEMBL6178163 | 0.74 | — | — | |
| SCHEMBL1005644 | 0.74 | — | — | |
| SCHEMBL7483367 | 0.74 | ALDH1A1 (0.48) | — | |
| 1,2-Dichlorobenzene SCHEMBL5190 | 0.69 | — | — | |
| 1,2-Dichlorobenzene SCHEMBL1155123 | 0.69 | TSHR (1.00) | — | |
| 1,2-Dichlorobenzene SCHEMBL10593125 | 0.69 | — | — |
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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230212167-A1 | METHOD FOR SYNTHESIZING ANTI-TUMOR COMPOUND AND INTERMEDIATES THEREOF | TRANSTHERA SCIENCES (NANJING), INC. (CN) | 2023-07-06 | — | — | US | disclosed |
| CN-111647011-B | Preparation method of monohalogenated phenylboronic acid | 宁夏中星显示材料有限公司 | 2023-04-07 | — | — | CN | disclosed |
| EP-4148054-A1 | SYNTHESIS METHOD FOR ANTI-TUMOR COMPOUND AND INTERMEDIATE THEREOF | Transthera Sciences (Nanjing), Inc. (CN) | 2023-03-15 | — | — | EP | disclosed |
| US-11072582-B2 | Substituted pyrrolidines as G-protein coupled receptor 43 agonists | EPICS THERAPEUTICS (BE) | 2021-07-27 | — | — | US | disclosed |
| US-20200347016-A1 | SUBSTITUTED PYRROLIDINES AS G-PROTEIN COUPLED RECEPTOR 43 AGONISTS | EPICS THERAPEUTICS (BE) | 2020-11-05 | — | — | US | disclosed |
| US-10781171-B2 | Substituted pyrrolidines as G-protein coupled receptor 43 agonists | EPICS THERAPEUTICS (BE) | 2020-09-22 | — | — | US | disclosed |
| CN-111647011-A | Preparation method of monohalogenated phenylboronic acid | 宁夏中星显示材料有限公司 | 2020-09-11 | — | — | CN | disclosed |
| US-20200148636-A1 | PYRROLIDINE OR THIAZOLIDINE CARBOXYLIC ACID DERIVATIVES, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS AS AGONISTS OF G-PROTEIN COUPLED RECEPTOR 43 (GPR43) | EPICS THERAPEUTICS (BE) | 2020-05-14 | — | — | US | disclosed |
| US-10577318-B2 | Substituted pyrrolidines as G-protein coupled receptor 43 agonists | EPICS THERAPEUTICS (BE) | 2020-03-03 | — | — | US | disclosed |
| EP-3610872-A1 | COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING INFLAMMATORY DISEASES | EPICS THERAPEUTICS (BE) | 2020-02-19 | — | — | EP | disclosed |
| EP-2102169-A1 | INDAZOLYL ESTER AND AMIDE DERIVATIVES FOR THE TREATMENT OF GLUCOCORTICOID RECEPTOR MEDIATED DISORDERS | AstraZeneca AB (SE) | 2009-09-23 | — | — | EP | disclosed |
| US-20080214641-A1 | Chemical compounds 572 | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2008-09-04 | — | — | US | disclosed |
| WO-2008076048-A1 | INDAZOLYL ESTER AND AMIDE DERIVATIVES FOR THE TREATMENT OF GLUCOCORTICOID RECEPTOR MEDIATED DISORDERS | ASTRAZENECA AB (SE) | 2008-06-26 | — | — | WO | disclosed |
| WO-2007079239-A2 | BICYCLIC NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF | ACADIA PHARMACEUTICALS INC. (US) | 2007-07-12 | — | — | WO | disclosed |
| EP-0011769-B1 | HYDROXYETHYL AZOLES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN MEDICAMENTS | BAYER AG (DE) | 1982-04-14 | — | — | EP | disclosed |
| US-4301166-A | FUNGICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1981-11-17 | — | — | US | disclosed |
| EP-0011770-B1 | FLUORENYL-AZOLYLMETHYL-CARBINOLS, PROCESS FOR THEIR PREPARATION, MEDICAMENTS CONTAINING THEM AND METHOD FOR PREPARING OF THESE MEDICAMENTS | BAYER AG (DE) | 1981-10-14 | — | — | EP | disclosed |
| US-4239765-A | ANTIMYCOTIC AGENTS | BAYER AKTIENGESELLSCHAFT (DE) | 1980-12-16 | — | — | US | disclosed |
| EP-0011769-A1 | Hydroxyethyl azoles, process for their preparation and their use in medicaments | BAYER AG (DE) | 1980-06-11 | — | — | EP | disclosed |
| EP-0011770-A1 | Fluorenyl-azolylmethyl-carbinols, process for their preparation, medicaments containing them and method for preparing of these medicaments | BAYER AG (DE) | 1980-06-11 | — | — | EP | disclosed |