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 | |
|---|---|---|---|---|
| SCHEMBL11207155 | 0.89 | — | — | |
| Fluoride Ion SCHEMBL4256732 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL149703 | 0.89 | — | — | |
| SCHEMBL9472380 | 0.84 | — | — | |
| SCHEMBL910599 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL10486874 | 0.77 | — | — | |
| SCHEMBL11787963 | 0.71 | — | — | |
| Sulfuric Acid SCHEMBL1271271 | 0.71 | TP53 (0.33) | — | |
| Water SCHEMBL29242977 | 0.67 | — | — | |
| Fluoride Ion SCHEMBL1030439 | 0.65 | — | — |
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 352 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115612049-B | Compound imitating spider silk structure, preparation method and application thereof | 上海凯赛生物技术股份有限公司 | 2025-02-11 | — | — | CN | claimed |
| CN-118373605-A | Preparation method of conductive film glass with controllable color neutrality and multi-interface structure | 威海中玻新材料技术研发有限公司 | 2024-07-23 | — | — | CN | claimed |
| CN-116194510-A | End-modified polyester resin, composition, molded article, and process for producing the same | 东丽先端材料研究开发（中国）有限公司 | 2023-05-30 | — | — | CN | claimed |
| CN-115667361-A | Autocatalytic rapid degradation polyester polymer and preparation method and application thereof | 埃德温·W·黄 | 2023-01-31 | — | — | CN | claimed |
| CN-115612049-A | Spider silk structure-imitating compound and preparation method and application thereof | 上海凯赛生物技术股份有限公司 | 2023-01-17 | — | — | CN | claimed |
| WO-2023280172-A1 | TERMINAL-MODIFIED POLYESTER RESIN, COMPOSITION THEREOF, MOLDED ARTICLE, AND PREPARATION METHOD | 东丽先端材料研究开发（中国）有限公司 | 2023-01-12 | — | — | WO | claimed |
| EP-1378533-A1 | Crystalline polyester resins and processes for their preparation | GENERAL ELECTRIC COMPANY (US) | 2004-01-07 | — | — | EP | claimed |
| US-6472500-B2 | OLIGOMERIAZTION FOLLOWED BY POLYMERIZATION OF AN AROMATIC DICARBOXYLIC ACID WITH AN EXCESS OF AN ALKANE DIOL TO REACH THE CLEARING POINT OF THE REACTION AND CONTROL THE AMOUNT OF CARBOXYLIC END GROUPS | GENERAL ELECTRIC COMPANY | 2002-10-29 | — | — | US | claimed |
| US-20020028904-A1 | Crystalline polyester resins and processes for their preparation | SABIC GLOBAL TECHNOLOGIES B.V. (NL) | 2002-03-07 | — | — | US | claimed |
| EP-0290287-A2 | Preparation of polyesters from terephthalic acid | INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) | 1988-11-09 | — | — | EP | claimed |
| US-4780527-A | USING ORGANO-METAL CATALYST CONTAINING TIN AND/OR TITANIUM, ORGANIC ACID SALT AND/OR INORGANIC SALT | INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) | 1988-10-25 | — | — | US | claimed |
| US-4615807-A | QUATERNARY AMMONIUM SALTS AND ORGANOTIN MIXTURE TO DISINFECT | UNITED STATES ENVIRONMENTAL RESOURCES, CORP. (US) | 1986-10-07 | — | — | US | claimed |
| EP-0000879-B1 | PROCESS FOR THE PREPARATION OF AROMATIC CARBONIC ACID ESTERS | BAYER AG (DE) | 1980-08-20 | — | — | EP | claimed |
| EP-4458903-B1 | THERMOPLASTIC POLYESTER RESIN COMPOSITION, METHOD FOR PRODUCING THERMOPLASTIC POLYESTER RESIN COMPOSITION, AND MOLDED ARTICLE | TORAY INDUSTRIES (JP) | 2026-02-25 | — | — | EP | disclosed |
| EP-4006104-B1 | THERMOPLASTIC POLYESTER RESIN, THERMOPLASTIC POLYESTER RESIN COMPOSITION, AND SHAPED ARTICLE | TORAY INDUSTRIES (JP) | 2025-12-03 | — | — | EP | disclosed |
| EP-4640738-A1 | METHOD FOR PRODUCING POLYESTER RESIN, AND POLYESTER RESIN | Toray Industries, Inc. (JP) | 2025-10-29 | — | — | EP | disclosed |
| US-3989790-A | Method for preparing silicone rubber molds | SWS SILICONES CORPORATION (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 |
| US-3936421-A | Process of preparing polytetramethylene terephthalate | TORAY INDUSTRIES, INC. (JA) | 1976-02-03 | — | — | US | disclosed |