⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5458830 | 0.65 | KDM4E (0.30) | — | |
| SCHEMBL2041196 | 0.52 | — | — | |
| SCHEMBL3295796 | 0.52 | TRPV4 (0.48) | — | |
| SCHEMBL3937451 | 0.52 | — | — | |
| SCHEMBL3655474 | 0.52 | — | — | |
| SCHEMBL61745 | 0.52 | — | — | |
| SCHEMBL175478 | 0.44 | ALDH1A1 (0.33) | — | |
| SCHEMBL11918034 | 0.44 | ALDH1A1 (0.30) | — | |
| SCHEMBL11532570 | 0.44 | — | — | |
| SCHEMBL21306240 | 0.44 | KDM4E (0.32) | — |
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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2593425-B1 | THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHOD OF USE | AGIOS PHARMACEUTICALS INC (US) | 2018-10-17 | — | — | EP | claimed |
| US-20160264621-A1 | THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE | AGIOS PHARMACEUTICALS, INC (US) | 2016-09-15 | — | — | US | claimed |
| US-20130184222-A1 | THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE | AGIOS PHARMACEUTICALS, INC (US) | 2013-07-18 | — | — | US | claimed |
| EP-2593425-A1 | THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHOD OF USE | Agios Pharmaceuticals, Inc. (US) | 2013-05-22 | — | — | EP | claimed |
| WO-2012009678-A1 | THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHOD OF USE | AGIOS PHARMACEUTICALS, INC. (US) | 2012-01-19 | — | — | WO | claimed |
| EP-0354683-A1 | Azole derivatives | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1990-02-14 | — | — | EP | claimed |
| CN-116715672-A | Trifluoromethyl modified macrocyclic supermolecule main body molecular cup and metal molecular cup, and preparation methods and applications thereof | 上海大学 | 2023-09-08 | — | — | CN | disclosed |
| CN-116715672-A | Trifluoromethyl modified macrocyclic supermolecule main body molecular cup and metal molecular cup, and preparation methods and applications thereof | 上海大学 | 2023-09-08 | — | — | CN | disclosed |
| EP-2593425-B1 | THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHOD OF USE | AGIOS PHARMACEUTICALS INC (US) | 2018-10-17 | — | — | EP | disclosed |
| US-20160264621-A1 | THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE | AGIOS PHARMACEUTICALS, INC (US) | 2016-09-15 | — | — | US | disclosed |
| US-8586611-B2 | Fungicidal carboxamides | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2013-11-19 | — | — | US | disclosed |
| US-20130184222-A1 | THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE | AGIOS PHARMACEUTICALS, INC (US) | 2013-07-18 | — | — | US | disclosed |
| EP-2593425-A1 | THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHOD OF USE | Agios Pharmaceuticals, Inc. (US) | 2013-05-22 | — | — | EP | disclosed |
| EP-1544202-A1 | NOVEL HERBICIDES, USAGE THEREOF, NOVEL THIENOPYRIMIDINE DERIVATIVES, INTERMEDIATES OF THE SAME, AND PROCESS FOR PRODUCTION THEREOF | Nihon Nohyaku Co., Ltd. (JP) | 2005-06-22 | — | — | EP | disclosed |
| US-20030212116-A1 | Heterocyclic imino compounds and fungicides and insecticides for agricultural and horitcultural use | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 2003-11-13 | — | — | US | disclosed |
| EP-1243580-A1 | HETEROCYCLIC IMINO COMPOUNDS AND FUNGICIDES AND INSECTICIDES FOR AGRICULTURAL AND HORTICULTURAL USE | Nissan Chemical Industries, Ltd. (JP) | 2002-09-25 | — | — | EP | disclosed |
| US-5877191-A | ANTIINFLAMMATORY AGENT; ANALGESICS; ANTIHISTAMINES; EMESIS | MERCK & CO., INC. (US) | 1999-03-02 | — | — | US | disclosed |
| WO-1998017660-A1 | PHENYL SPIROETHERCYCLOALKYL TACHYKININ RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 1998-04-30 | — | — | WO | disclosed |
| EP-0354683-A1 | Azole derivatives | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1990-02-14 | — | — | EP | disclosed |
| EP-0354689-A1 | Diphenylethane derivatives | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1990-02-14 | — | — | EP | disclosed |