⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6762246 | 0.86 | TSHR (0.42) | — | |
| SCHEMBL28599126 | 0.84 | TSHR (0.41) | — | |
| SCHEMBL28389448 | 0.83 | — | — | |
| SCHEMBL27309465 | 0.82 | KDM4C (0.43) | — | |
| SCHEMBL25616611 | 0.82 | CA1 (0.41) | — | |
| SCHEMBL8770477 | 0.82 | KDM4C (0.43) | — | |
| SCHEMBL4903718 | 0.79 | TSHR (0.46) | — | |
| SCHEMBL15850464 | 0.79 | TSHR (0.41) | — | |
| SCHEMBL11062333 | 0.78 | CA1 (0.41) | — | |
| SCHEMBL15128653 | 0.78 | TSHR (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4176145-A | Photodegradable polymer compositions comprising blends of polymers with ketone-containing block or graft copolymers | ECOPLASTICS LIMITED, 518 GORDON BAKER ROAD, WILLOWDALE, ONTARIO M2H 3B4, CANADA A CORP. OF ONTARIO | 1979-11-27 | — | — | US | claimed |
| US-20230374021-A1 | [1,3]DIAZINO[5,4-d]PYRIMIDINES AS HER2 INHIBITORS | BOEHRINGER INGELHEIM INT (DE) | 2023-11-23 | — | — | US | disclosed |
| CN-108997215-B | Preparation method of 1,2,3, 4-tetrahydroisoquinoline derivative | 武汉大学 | 2020-05-22 | — | — | CN | disclosed |
| CN-108997215-A | A kind of preparation method of 1,2,3,4- tetrahydro isoquinoline derivative | 武汉大学 | 2018-12-14 | — | — | CN | disclosed |
| US-20180022713-A1 | HETEROARYL COMPOUNDS AND USES THEREOF | BRISTOL-MYERS SQUIBB COMPANY | 2018-01-25 | — | — | US | disclosed |
| US-20170267685-A1 | HETEROARYL COMPOUNDS AND USES THEREOF | BRISTOL-MYERS SQUIBB COMPANY | 2017-09-21 | — | — | US | disclosed |
| US-20170210743-A1 | NOVEL HDAC6 INHIBITORS AND THEIR USES | Universitätsklinikum Jena (DE) | 2017-07-27 | — | — | US | disclosed |
| US-9695132-B2 | Heteroaryl compounds and uses thereof | CELGENE CAR LLC (BM) | 2017-07-04 | — | — | US | disclosed |
| US-9663524-B2 | Substituted pyrido[2,3-d]pyrimidines as protein kinase inhibitors | CELGENE CAR LLC (BM) | 2017-05-30 | — | — | US | disclosed |
| US-20160221966-A1 | HETEROARYL COMPOUNDS AND USES THEREOF | BRISTOL-MYERS SQUIBB COMPANY | 2016-08-04 | — | — | US | disclosed |
| US-20150376208-A1 | MK2 INHIBITORS AND USES THEREOF | CELGENE AVILOMICS RESEARCH, INC. (US) | 2015-12-31 | — | — | US | disclosed |
| US-20140296233-A1 | HETEROARYL COMPOUNDS AND USES THEREOF | SANOFI (FR) | 2014-10-02 | — | — | US | disclosed |
| US-8507564-B2 | Method for selecting perfume ingredient, method for formulating fragrance, and preference-enhancing agent | SHISEIDO CO., LTD. (JP) | 2013-08-13 | — | — | US | disclosed |
| EP-2143782-B1 | Use of Allyl Caproate | SHISEIDO CO LTD (JP) | 2011-11-23 | — | — | EP | disclosed |
| US-20100168253-A1 | Method For Selecting Perfume Ingredient, Method For Formulating Fragrance, And Preference-Enhancing Agent | SHISEIDO CO., LTD. (JP) | 2010-07-01 | — | — | US | disclosed |
| EP-2143782-A1 | Use of Allyl Caproate | Shiseido Co., Ltd. (JP) | 2010-01-13 | — | — | EP | disclosed |
| EP-1921130-A1 | METHOD OF SELECTING PERFUME INGREDIENT, METHOD OF PERFUME FORMULATION, AND TASTINESS IMPROVER | Shiseido Company, Limited (JP) | 2008-05-14 | — | — | EP | disclosed |
| EP-1006813-B1 | USE OF 1-NONEN-3-ONE AS A FLAVOURING AGENT | NESTLE SA (CH) | 2005-02-02 | — | — | EP | disclosed |
| US-4176145-A | Photodegradable polymer compositions comprising blends of polymers with ketone-containing block or graft copolymers | ECOPLASTICS LIMITED, 518 GORDON BAKER ROAD, WILLOWDALE, ONTARIO M2H 3B4, CANADA A CORP. OF ONTARIO | 1979-11-27 | — | — | US | disclosed |
| US-3932573-A | Process for producing glass fiber reinforced injection molding compounds | ETHYL CORPORATION (US) | 1976-01-13 | — | — | US | disclosed |