⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30980 | 0.70 | — | — | |
| Ammonia Solution, Strong SCHEMBL4908314 | 0.67 | — | — | |
| SCHEMBL15496478 | 0.67 | — | — | |
| SCHEMBL150801 | 0.67 | — | — | |
| SCHEMBL2893448 | 0.67 | — | — | |
| SCHEMBL347195 | 0.67 | — | — | |
| SCHEMBL45611 | 0.67 | — | — | |
| SCHEMBL3416266 | 0.67 | — | — | |
| SCHEMBL887097 | 0.67 | — | — | |
| SCHEMBL29167957 | 0.67 | — | — |
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 183 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20150051090-A1 | METHODS FOR IN SILICO SCREENING | D.E. SHAW RESEARCH, LLC | 2015-02-19 | — | — | US | claimed |
| EP-1648867-A4 | PPAR ACTIVE COMPOUNDS | PLEXXIKON INC (US) | 2008-07-23 | — | — | EP | claimed |
| JP-2007534625-A | — | — | 2007-11-29 | — | — | JP | claimed |
| WO-2006078228-A1 | METHODS FOR THE DESIGN OF MOLECULAR SCAFFOLDS AND LIGANDS | PLEXXIKON, INC. (US) | 2006-07-27 | — | — | WO | claimed |
| EP-1648867-A1 | PPAR ACTIVE COMPOUNDS | PLEXXIKON, INC. (US) | 2006-04-26 | — | — | EP | claimed |
| US-20050288354-A1 | PPAR active compounds | PLEXXIKON, INC. | 2005-12-29 | — | — | US | claimed |
| US-20050038246-A1 | PPAR active compounds | PLEXXIKON, INC. | 2005-02-17 | — | — | US | claimed |
| WO-2005009958-A1 | PPAR ACTIVE COMPOUNDS | PLEXXIKON, INC. (US) | 2005-02-03 | — | — | WO | claimed |
| US-20040171062-A1 | microarrays for drug screening; X-ray crystallography/co-crystal analysis; combinatorial chemistry | PLEXXIKON, INC. | 2004-09-02 | — | — | US | claimed |
| EP-1102758-A4 | PARTICLE-FORMING COMPOSITIONS CONTAINING FUSED PYRROLOCARBAZOLES | CEPHALON INC (US) | 2002-07-24 | — | — | EP | claimed |
| EP-0922069-A1 | POLYESTER COMPOSITIONS CONTAINING NEAR INFRARED ABSORBING MATERIALS | EASTMAN CHEMICAL COMPANY (US) | 1999-06-16 | — | — | EP | claimed |
| WO-1998008895-A9 | POLYESTER COMPOSITIONS CONTAINING NEAR INFRARED ABSORBING MATERIALS | — | 1998-06-18 | — | — | WO | claimed |
| WO-1998008895-A1 | POLYESTER COMPOSITIONS CONTAINING NEAR INFRARED ABSORBING MATERIALS | EASTMAN CHEMICAL COMPANY (US) | 1998-03-05 | — | — | WO | claimed |
| EP-0280856-A2 | Condensation copolymers containing 2,5-diarylaminoterephthalic acid type colorants and products therefrom | EASTMAN KODAK COMPANY (a New Jersey corporation) (US) | 1988-09-07 | — | — | EP | claimed |
| EP-0152310-B1 | PROCESS FOR THE PREPARATION OF TRIFLUOROMETHYL ANILINES | RHONE-POULENC CHIMIE (FR) | 1987-07-22 | — | — | EP | claimed |
| US-4551419-A | HIGH PHOTSENSITIVITY AND CONTRAST BY INCLUDING A SULFUR COMPOUND AND A MERCAPTO-CONTAINING AZAINDENE STABILIZER | FUJI PHOTO FILM CO., LTD. (JP) | 1985-11-05 | — | — | US | claimed |
| EP-0074057-A2 | Perfluor-alkyl esters, process for their preparation and their use as dirt repulsing agents | HOECHST AKTIENGESELLSCHAFT (DE) | 1983-03-16 | — | — | EP | claimed |
| EP-0010440-B1 | PYROMELLITIC DIIMIDES, PROCESSES FOR THEIR PREPARATION, THESE COMPOUNDS IN ORALLY ADMINISTRABLE FORM FOR USE IN INCREASING THE FEED EFFICIENCY OF A RUMINANT ANIMAL AND COMPOSITIONS FOR THIS PURPOSE CONTAINING THEM | MERCK & CO. INC. (US) | 1983-01-26 | — | — | EP | claimed |
| EP-0010440-A1 | Pyromellitic diimides, processes for their preparation, these compounds in orally administrable form for use in increasing the feed efficiency of a ruminant animal and compositions for this purpose containing them | MERCK & CO. INC. (US) | 1980-04-30 | — | — | EP | claimed |
| EP-0008472-A2 | Light sensitive benzenediazonium salts and diazotype material using same | Aerni-Leuch Ag (CH) | 1980-03-05 | — | — | EP | claimed |