⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7611194 | 1.00 | TSHR (0.42) | — | |
| SCHEMBL7613233 | 1.00 | TSHR (0.42) | — | |
| SCHEMBL5481202 | 1.00 | TSHR (0.42) | — | |
| SCHEMBL5586092 | 1.00 | TSHR (0.42) | — | |
| SCHEMBL2025361 | 0.97 | — | — | |
| SCHEMBL6706888 | 0.87 | FAAH (0.52) | — | |
| SCHEMBL2018589 | 0.77 | — | — | |
| SCHEMBL3265077 | 0.75 | TSHR (0.41) | — | |
| SCHEMBL3507116 | 0.74 | — | — | |
| SCHEMBL9451397 | 0.74 | TSHR (0.42) | — |
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 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6342611-B1 | BLOCKED RHODAMINE DERIVATIVES | CYTOVIA, INC. | 2002-01-29 | — | — | US | claimed |
| US-8598367-B2 | Nitrogen-containing heterocyclic compound and pest control agent | NIPPON SODA CO., LTD. (JP) | 2013-12-03 | — | — | US | disclosed |
| US-20130137876-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND PEST CONTROL AGENT | NIPPON SODA CO., LTD. (JP) | 2013-05-30 | — | — | US | disclosed |
| US-8362257-B2 | Nitrogen-containing heterocyclic compound and pest control agent | NIPPON SODA CO., LTD. (JP) | 2013-01-29 | — | — | US | disclosed |
| US-20110166358-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND PEST CONTROL AGENT | NIPPON SODA CO., LTD. (JP) | 2011-07-07 | — | — | US | disclosed |
| EP-2332927-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND PEST CONTROL AGENT | Nippon Soda Co., Ltd. (JP) | 2011-06-15 | — | — | EP | disclosed |
| US-7294369-B2 | Polymerisable cinnamates with lateral substitution | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2007-11-13 | — | — | US | disclosed |
| US-7270801-B2 | Fluorogenic or fluorescent reporter molecules and their applications for whole-cell fluorescence screening assays for caspases and other enzymes and the use thereof | CYTOVIA, INC. (US) | 2007-09-18 | — | — | US | disclosed |
| EP-1524308-B1 | Polymerisable Cinnamates with lateral substitution | MERCK PATENT GMBH (DE) | 2006-07-26 | — | — | EP | disclosed |
| US-20050227021-A1 | Polymerisable cinnamates with lateral substitution | MERCK PATENT GMBH (DE) | 2005-10-13 | — | — | US | disclosed |
| EP-1524308-A1 | Polymerisable Cinnamates with lateral substitution | MERCK PATENT GmbH (DE) | 2005-04-20 | — | — | EP | disclosed |
| EP-1026988-A4 | NOVEL FLUORESCENT REPORTER MOLECULES AND THEIR APPLICATIONS INCLUDING ASSAYS FOR CASPASES | CYTOVIA INC (US) | 2005-03-30 | — | — | EP | disclosed |
| US-20040191844-A1 | Novel fluorogenic or fluorescent reporter molecules and their applications for whole-cell fluorescence screening assays for caspases and other enzymes and the use thereof | CYTOVIA, INC. (US) | 2004-09-30 | — | — | US | disclosed |
| US-6759207-B2 | REPORTER COMPOUND FOR USE IN THE DIAGNOSIS, DETECTION AND TREATMENT OF CANCER | CYTOVIA, INC. | 2004-07-06 | — | — | US | disclosed |
| EP-1329160-A2 | 4-ACYLAMINOPYRAZOLE DERIVATIVES | Sankyo Company, Limited (JP) | 2003-07-23 | — | — | EP | disclosed |
| US-20020150885-A1 | Novel fluorogenic or fluorescent reporter molecules and their applications for whole-cell fluorescence screening assays for caspases and other enzymes and the use thereof | CYTOVIA, INC. | 2002-10-17 | — | — | US | disclosed |
| US-6342611-B1 | BLOCKED RHODAMINE DERIVATIVES | CYTOVIA, INC. | 2002-01-29 | — | — | US | disclosed |
| US-6335429-B1 | COMPOUND INCLUDING SUBSTRATE FOR ENZYME AND RHODAMINE DYE; DRUG SCREENING FOR ANTICARCINOGENIC AGENTS | CYTOVIA, INC. | 2002-01-01 | — | — | US | disclosed |
| EP-1026988-A1 | NOVEL FLUORESCENT REPORTER MOLECULES AND THEIR APPLICATIONS INCLUDING ASSAYS FOR CASPASES | Cytovia, Inc. (US) | 2000-08-16 | — | — | EP | disclosed |
| WO-1999018856-A1 | NOVEL FLUORESCENT REPORTER MOLECULES AND THEIR APPLICATIONS INCLUDING ASSAYS FOR CASPASES | CYTOVIA, INC. (US) | 1999-04-22 | — | — | WO | disclosed |