⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4084008 | 1.00 | — | — | |
| SCHEMBL28405936 | 1.00 | — | — | |
| SCHEMBL1307795 | 0.88 | — | — | |
| SCHEMBL209084 | 0.88 | — | — | |
| SCHEMBL765487 | 0.88 | — | — | |
| Hydrochloric Acid SCHEMBL28644266 | 0.86 | GPR119 (0.30) | — | |
| SCHEMBL30814721 | 0.81 | TSHR (0.41) | — | |
| SCHEMBL208710 | 0.76 | — | — | |
| SCHEMBL87239 | 0.72 | — | — | |
| Formic Acid SCHEMBL28955876 | 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 78 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024114814-A1 | JAK INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS | ONQUALITY PHARMACEUTICALS CHINA LTD (CN) | 2024-06-06 | — | — | WO | claimed |
| CN-118076602-A | Heteroaryl-acetylenes, pharmaceutical compositions thereof and their therapeutic uses | 嘉兴优博生物技术有限公司 | 2024-05-24 | — | — | CN | claimed |
| CN-110885323-A | Triazole alcohol derivative, and preparation method and application thereof | 中国人民解放军第二军医大学 | 2020-03-17 | — | — | CN | claimed |
| EP-2958928-B1 | ESTRA-1,3,5(10),16-TETRAENE-3-CARBOXAMIDES FOR INHIBITION OF 17.BETA.-HYDROXYSTEROID DEHYDROGENASE (AKR1 C3) | Bayer Pharma AG (DE) | 2018-03-28 | — | — | EP | claimed |
| US-9714266-B2 | Estra-1,3,5(10),16-tetraene-3-carboxamides for inhibition of 17.beta.-hydroxysteroid dehydrogenase (AKR1C3) | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2017-07-25 | — | — | US | claimed |
| CN-106146512-A | The preparation method of Buddhist nun is replaced according to Shandong | 北京睿创康泰医药研究院有限公司 | 2016-11-23 | — | — | CN | claimed |
| US-20160024142-A1 | ESTRA-1,3,5(10),16-TETRAENE-3-CARBOXAMIDES FOR INHIBITION OF 17.BETA.-HYDROXYSTEROID DEHYDROGENASE (AKR1 C3) | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2016-01-28 | — | — | US | claimed |
| EP-2861595-A2 | SUBSTITUTED TRICYCLIC COMPOUNDS AS FGFR INHIBITORS | Incyte Corporation (US) | 2015-04-22 | — | — | EP | claimed |
| US-20140309192-A1 | MODULATORS OF THE G PROTEIN-COUPLED MAS RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO | ARENA PHARMACEUTICALS, INC, | 2014-10-16 | — | — | US | claimed |
| CN-104105691-A | MODULATORS OF THE G PROTEIN-COUPLED MAS RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO | ARENA PHARM INC | 2014-10-15 | — | — | CN | claimed |
| EP-2776407-A1 | MODULATORS OF THE G PROTEIN-COUPLED MAS RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO | Arena Pharmaceuticals, Inc. (US) | 2014-09-17 | — | — | EP | claimed |
| WO-2014007951-A2 | SUBSTITUTED TRICYCLIC COMPOUNDS AS FGFR INHIBITORS | INCYTE CORPORATION (US) | 2014-01-09 | — | — | WO | claimed |
| CN-101605794-B | Azabenzofuranyl compounds and methods of use | GENENTECH INC US | 2013-06-12 | — | — | CN | claimed |
| WO-2013070657-A1 | MODULATORS OF THE G PROTEIN-COUPLED MAS RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO | ARENA PHARMACEUTICALS, INC. (US) | 2013-05-16 | — | — | WO | claimed |
| CN-101827838-A | Cannabinoid receptor ligand | ASTRAZENECA AB | 2010-09-08 | — | — | CN | claimed |
| CN-100534991-C | Heterocyclic inhibitors of ERK 2 and uses thereof | VERTEX PHARMA (US) | 2009-09-02 | — | — | CN | claimed |
| US-20090181958-A1 | SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2009-07-16 | — | — | US | claimed |
| US-7429597-B2 | Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) | 2008-09-30 | — | — | US | claimed |
| US-20040176603-A1 | Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2004-09-09 | — | — | US | claimed |
| CN-1494541-A | heterocyclic inhibitors of ERK2 and uses thereof | ��̩��˹ҩ��ɷ�����˾ | 2004-05-05 | — | — | CN | claimed |