⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29579005 | 1.00 | — | — | |
| SCHEMBL538608 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL28713663 | 0.75 | ALDH1A1 (0.41) | — | |
| Hydrochloric Acid SCHEMBL9453376 | 0.75 | ALDH1A1 (0.41) | — | |
| SCHEMBL28140 | 0.73 | — | — | |
| SCHEMBL28129975 | 0.73 | TSHR (0.61) | — | |
| SCHEMBL28983295 | 0.72 | — | — | |
| SCHEMBL31324642 | 0.72 | — | — | |
| SCHEMBL187176 | 0.72 | — | — | |
| SCHEMBL4169934 | 0.72 | — | — |
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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| 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 |
| EP-2242753-B1 | OXAZOLIDINE AND THIAZOLIDINE SELECTIVE SUBTYPE ALPHA 2 ADRENERGIC AGENTS AND METHODS FOR USE THEREOF | ALLERGAN INC (US) | 2015-04-08 | — | — | EP | disclosed |
| US-20140206701-A1 | SELECTIVE SUBTYPE ALPHA 2 ADRENERGIC AGENTS AND METHODS FOR USE THEREOF | ALLERGAN, INC. (US) | 2014-07-24 | — | — | US | disclosed |
| US-8735399-B2 | Selective subtype alpha 2 adrenergic agents and methods for use thereof | ALLERGAN, INC. (US) | 2014-05-27 | — | — | US | disclosed |
| EP-2240468-B1 | SELECTIVE SUBTYPE ALPHA 2 ADRENERGIC AGENTS AND METHODS FOR USE THEREOF | ALLERGAN INC (US) | 2013-10-16 | — | — | EP | disclosed |
| US-8455521-B2 | Diaminoalkane aspartic protease inhibitors | VITAE PHARMACEUTICALS, INC. (US) | 2013-06-04 | — | — | US | disclosed |
| US-8362022-B2 | Selective subtype alpha 2 adrenergic agents and methods for use thereof | ALLERGAN, INC. (US) | 2013-01-29 | — | — | US | disclosed |
| EP-2515657-A1 | TYROSINE KINASE INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2012-10-31 | — | — | EP | disclosed |
| US-20120264735-A1 | TYROSINE KINASE INHIBITORS | MERCK SHARP & DOHME CORP. | 2012-10-18 | — | — | US | disclosed |
| US-20090018103-A1 | Diaminoalkane Aspartic Protease Inhibitors | VITAE PHARMACEUTICAL, INC (US) | 2009-01-15 | — | — | US | disclosed |
| US-20070213359-A1 | BICYCLIC-NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF | ACADIA PHARMACEUTICALS INC. (US) | 2007-09-13 | — | — | US | disclosed |
| EP-1807078-A1 | DIAMINOALKANE ASPARTIC PROTEASE INHIBITORS | Vitae Pharmaceuticals, Inc. (US) | 2007-07-18 | — | — | EP | disclosed |
| WO-2006042150-A1 | DIAMINOALKANE ASPARTIC PROTEASE INHIBITORS | VITAE PHARMACEUTICALS, INC. (US) | 2006-04-20 | — | — | 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 |