Known targets — ChEMBL curated mechanism
GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQ
The experimentally established mechanism targets of Water. 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 | |
|---|---|---|---|---|
| Water SCHEMBL17701316 | 0.95 | — | — | |
| SCHEMBL547124 | 0.90 | TSHR (0.36) | — | |
| Hydrogen Sulfide SCHEMBL2496132 | 0.90 | — | — | |
| SCHEMBL7130290 | 0.90 | TSHR (0.36) | — | |
| Hydrochloric Acid SCHEMBL18979664 | 0.86 | TSHR (0.33) | — | |
| SCHEMBL27096646 | 0.82 | TSHR (0.33) | — | |
| SCHEMBL6533270 | 0.76 | — | — | |
| SCHEMBL11209765 | 0.76 | TSHR (0.37) | — | |
| SCHEMBL2489867 | 0.73 | MEN1 (0.38) | — | |
| SCHEMBL368480 | 0.73 | TSHR (0.33) | — |
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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2019195522-A2 | TIN DODECAMERS AND RADIATION PATTERNABLE COATINGS WITH STRONG EUV ABSORPTION | INPRIA CORPORATION (US) | 2019-10-10 | — | — | WO | claimed |
| US-20190308998-A1 | TIN DODECAMERS AND RADIATION PATTERNABLE COATINGS WITH STRONG EUV ABSORPTION | INPRIA CORPORATION | 2019-10-10 | — | — | US | claimed |
| US-11392028-B2 | Tin dodecamers and radiation patternable coatings with strong EUV absorption | INPRIA CORPORATION (US) | 2022-07-19 | — | — | US | disclosed |
| EP-3227022-B1 | PROCESSES FOR PREPARING A CATALYST, AN AROMATIC CARBONATE USING THE SAME AND A POLYCARBONATE | SHELL INT RESEARCH (NL) | 2020-07-22 | — | — | EP | disclosed |
| WO-2019195522-A2 | TIN DODECAMERS AND RADIATION PATTERNABLE COATINGS WITH STRONG EUV ABSORPTION | INPRIA CORPORATION (US) | 2019-10-10 | — | — | WO | disclosed |
| US-20190308998-A1 | TIN DODECAMERS AND RADIATION PATTERNABLE COATINGS WITH STRONG EUV ABSORPTION | INPRIA CORPORATION | 2019-10-10 | — | — | US | disclosed |
| EP-2257520-B1 | PROCESS FOR CONTINUOUS PRODUCTION OF ORGANIC CARBONATES OR ORGANIC CARBAMATES AND SOLID CATALYSTS THEREFORE | CATALYTIC DISTILLATION TECH (US) | 2018-08-22 | — | — | EP | disclosed |
| US-20170320049-A1 | PROCESS FOR PREPARING AN AROMATIC CARBONATE PRODUCTION CATALYST | SHELL OIL COMPANY | 2017-11-09 | — | — | US | disclosed |
| EP-3227022-A1 | PROCESS FOR PREPARING AN AROMATIC CARBONATE PRODUCTION CATALYST | Shell Internationale Research Maatschappij B.V. (NL) | 2017-10-11 | — | — | EP | disclosed |
| WO-2016087559-A1 | PROCESS FOR PREPARING AN AROMATIC CARBONATE PRODUCTION CATALYST | SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) | 2016-06-09 | — | — | WO | disclosed |
| EP-2459511-B1 | PROCESS FOR PRODUCING DIPHENYL CARBONATE | SHELL INT RESEARCH (NL) | 2016-04-27 | — | — | EP | disclosed |
| US-20090203933-A1 | PROCESS FOR CONTINUOUS PRODUCTION OF ORGANIC CARBONATES OR ORGANIC CARBAMATES AND SOLID CATALYSTS THEREFORE | CATALYTIC DISTILLATION TECHNOLOGIES (US) | 2009-08-13 | — | — | US | disclosed |
| US-20090176095-A1 | Novel triphenylmethane derivative, organic gellant containing the same, organic gel, and organic fiber | MITSUBISHI GAS CHEMICAL CO., INC. (JP) | 2009-07-09 | — | — | US | disclosed |
| EP-1707561-A1 | NOVEL TRIPHENYLMETHANE DERIVATIVE, ORGANIC GELLANT CONTAINING THE SAME, ORGANIC GEL, AND ORGANIC FIBER | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2006-10-04 | — | — | EP | disclosed |
| US-4119775-A | ANTIBACTERIAL | RICHARDSON-MERRELL INC. (US) | 1978-10-10 | — | — | US | disclosed |
| US-4008221-A | BACTERICIDE, ANTIBIOTIC | RICHARDSON-MERRELL INC. (US) | 1977-02-15 | — | — | US | disclosed |
| US-3994874-A | ANTIBACTERIAL | RICHARDSON-MERRELL INC. (US) | 1976-11-30 | — | — | US | disclosed |
| US-3989687-A | ANTIBACTERIAL | RICHARDSON-MERRELL INC. (US) | 1976-11-02 | — | — | US | disclosed |
| US-3956288-A | 7-[(2,4-Dioxo-1-pyrimidinyl)acylamino]cephalosporin derivatives | RICHARDSON-MERRELL INC. (US) | 1976-05-11 | — | — | US | disclosed |
| US-3956287-A | BACTERICIDES | RICHARDSON-MERRELL INC. (US) | 1976-05-11 | — | — | US | disclosed |