Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of Hexamethylbenzene. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
⚠ 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 | |
|---|---|---|---|---|
| Hexamethylbenzene SCHEMBL14954108 | 0.86 | — | — | |
| Hexamethylbenzene SCHEMBL14954281 | 0.86 | — | — | |
| Hexamethylbenzene SCHEMBL8521012 | 0.86 | — | — | |
| Hexamethylbenzene SCHEMBL14954217 | 0.86 | — | — | |
| Hexamethylbenzene SCHEMBL14953793 | 0.86 | — | — | |
| Hexamethylbenzene SCHEMBL114857 | 0.84 | RXFP1 (0.33) | — | |
| Hexamethylbenzene SCHEMBL10952799 | 0.77 | RXFP1 (0.31) | — | |
| Hexamethylbenzene SCHEMBL9419367 | 0.77 | RXFP1 (0.31) | — | |
| Hexamethylbenzene SCHEMBL10952629 | 0.77 | RXFP1 (0.31) | — | |
| Hexamethylbenzene SCHEMBL10609849 | 0.77 | RXFP1 (0.31) | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8722912-B2 | Metal complex compound and process for producing amides utilizing the metal complex compound | NATIONAL UNIVERSITY CORPORATION OKAYAMA UNIVERSITY (JP) | 2014-05-13 | — | — | US | disclosed |
| US-20130131366-A1 | Metal Complex Compound and Process for Producing Amides Utilizing the Metal Complex Compound | NATIONAL UNIVERSITY CORPORATION OKAYAMA UNIVERSITY (JP) | 2013-05-23 | — | — | US | disclosed |
| US-7622487-B2 | Piperidine derivative, process for producing the same, and use | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-11-24 | — | — | US | disclosed |
| EP-1604964-B1 | ZERO-VALENCE TRANSITION METAL COMPLEX AND METHOD OF SYNTHESIZING ORGANOMETALLIC COMPOUND FROM THE SAME AS STARTING MATERIAL | SEKISUI CHEMICAL CO LTD (JP) | 2009-06-10 | — | — | EP | disclosed |
| US-7361776-B2 | Zero-valent transition metal complex and method for producing an organometallic compound using the same as a starting material | SEKISUI CHEMICAL CO., LTD. (JP) | 2008-04-22 | — | — | US | disclosed |
| US-20060167052-A1 | Piperidine derivative, process for producing the same, and use | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2006-07-27 | — | — | US | disclosed |
| US-20060149088-A1 | Zero-valence transition metal complex and method of synthesizing organometallic compound from the same as starting material | SEKISUI CHEMICAL CO., LTD. (JP) | 2006-07-06 | — | — | US | disclosed |
| EP-1604964-A1 | ZERO-VALENCE TRANSITION METAL COMPLEX AND METHOD OF SYNTHESIZING ORGANOMETALLIC COMPOUND FROM THE SAME AS STARTING MATERIAL | SEKISUI CHEMICAL CO., LTD. (JP) | 2005-12-14 | — | — | EP | disclosed |
| EP-1553084-A1 | PIPERIDINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE | Takeda Pharmaceutical Company Limited (JP) | 2005-07-13 | — | — | EP | disclosed |
| WO-2004084834-A2 | CHIRAL POROUS METAL PHOSPHONATES FOR HETEROGENEOUS ASYMMETRIC CATALYSIS | THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) | 2004-10-07 | — | — | WO | disclosed |
| US-20040192543-A1 | Chiral porous metal phosphonates for heterogeneous asymmetric catalysis | NORTH CAROLINA AT CHAPEL HILL, UNIVERSITY OF, THE | 2004-09-30 | — | — | US | disclosed |
| US-20030045727-A1 | Process for preparing optically active secondary alcohols having nitrogenous or oxygenic functional groups | ASAHI KASEI KABUSHIKI KAISHA (JP) | 2003-03-06 | — | — | US | disclosed |
| EP-1254885-A1 | PROCESS FOR PREPARING OPTICALLY ACTIVE SECONDARY ALCOHOLS HAVING NITROGENOUS OR OXYGENIC FUNCTIONAL GROUPS | Asahi Kasei Kabushiki Kaisha (JP) | 2002-11-06 | — | — | EP | disclosed |