⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12817825 | 0.74 | — | — | |
| SCHEMBL12815969 | 0.71 | TSHR (0.35) | — | |
| SCHEMBL125358 | 0.69 | — | — | |
| SCHEMBL15067739 | 0.69 | TRPA1 (0.31) | — | |
| SCHEMBL12817302 | 0.67 | — | — | |
| SCHEMBL291999 | 0.67 | — | — | |
| SCHEMBL7106514 | 0.65 | TSHR (0.33) | — | |
| SCHEMBL12816960 | 0.65 | — | — | |
| SCHEMBL2137791 | 0.65 | — | — | |
| SCHEMBL1649841 | 0.65 | — | — |
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 151 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2727915-B1 | Synthesis of deuterated catechols and benzo[d][1,3]dioxoles and derivatives thereof | CONCERT PHARMACEUTICALS INC (US) | 2016-04-13 | — | — | EP | claimed |
| EP-2727915-A1 | Synthesis of deuterated catechols and benzo[d][1,3]dioxoles and derivatives thereof | Concert Pharmaceuticals Inc. (US) | 2014-05-07 | — | — | EP | claimed |
| CN-114736219-B | Antitumor compounds | 法马马有限公司 | 2024-06-07 | — | — | CN | disclosed |
| CN-114751920-B | Antitumor compounds | 法马马有限公司 | 2024-06-07 | — | — | CN | disclosed |
| CN-118139851-A | Antitumor compounds | 法马马有限公司 | 2024-06-04 | — | — | CN | disclosed |
| US-11999757-B2 | Synthesis of boronate ester derivatives and uses thereof | MELINTA SUBSIDIARY CORP. (US) | 2024-06-04 | — | — | US | disclosed |
| US-20240166666-A1 | ANTITUMORAL COMPOUNDS | PHARMA MAR SA (ES) | 2024-05-23 | — | — | US | disclosed |
| US-20240131180-A1 | DRUG ANTIBODY CONJUGATES | PHARMA MAR, S.A. (ES) | 2024-04-25 | — | — | US | disclosed |
| EP-4356736-A2 | SYNTHESIS OF BORONATE SALTS | Melinta Therapeutics, Inc. (US) | 2024-04-24 | — | — | EP | disclosed |
| CN-117865987-A | Antitumor compounds | 法马马有限公司 | 2024-04-12 | — | — | CN | disclosed |
| WO-2024074604-A1 | COMPOUNDS FOR THE MANAGEMENT OF CELL STEMNESS AND INVASION IN CANCER AND RELATED DISEASES | INSTITUTO BIOMAR, S.A (ES) | 2024-04-11 | — | — | WO | disclosed |
| US-20090186938-A1 | ANTITUMORAL DIHYDROPYRAN-2-ONE COMPOUNDS | PHARMA MAR, S.A. (ES) | 2009-07-23 | — | — | US | disclosed |
| WO-2009080761-A1 | ANTITUMORAL COMPOUNDS | PHARMA MAR, S.A. (ES) | 2009-07-02 | — | — | WO | disclosed |
| WO-2009080769-A1 | ANTITUMORAL COMPOUNDS | PHARMA MAR, S.A. (ES) | 2009-07-02 | — | — | WO | disclosed |
| WO-2009077401-A1 | ANTITUMORAL COMPOUNDS | PHARMA MAR, S.A. (ES) | 2009-06-25 | — | — | WO | disclosed |
| US-20090143432-A1 | Synthesis of deuterated catechols and benzo[D][1,3]dioxoles and derivatives thereof | CONCERT PHARMACEUTICALS, INC. (US) | 2009-06-04 | — | — | US | disclosed |
| WO-2009035652-A1 | SYNTHESIS OF DEUTERATED CATECHOLS AND BENZO[D][1,3] DIOXOLES AND DERIVATIVES THEREOF | CONCERT PHARMACEUTICALS, INC. (US) | 2009-03-19 | — | — | WO | disclosed |
| EP-2032551-A1 | ANTITUMORAL DIHYDROPYRAN-2-ONE COMPOUNDS | PHARMA MAR, S.A. (ES) | 2009-03-11 | — | — | EP | disclosed |
| WO-2009017671-A1 | SYNTHESIS OF INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 | VITAE PHARMACEUTICALS, INC. (US) | 2009-02-05 | — | — | WO | disclosed |
| WO-2007144423-A1 | ANTITUMORAL DIHYDROPYRAN-2-ONE COMPOUNDS | PHARMA MAR, S.A. (ES) | 2007-12-21 | — | — | WO | disclosed |