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 | |
|---|---|---|---|---|
| SCHEMBL98070 | 0.97 | — | — | |
| Iodide SCHEMBL2843484 | 0.93 | — | — | |
| Fluoride Ion SCHEMBL30462545 | 0.93 | — | — | |
| SCHEMBL29115129 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL11059657 | 0.93 | — | — | |
| Water SCHEMBL3860312 | 0.93 | MEN1 (0.56) | — | |
| Fluoride Ion SCHEMBL30462546 | 0.93 | — | — | |
| Bromide SCHEMBL6153684 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL93724 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL27527919 | 0.93 | MEN1 (0.56) | — |
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 291 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115651162-B | Polyisocyanate composition with low free monomer, high compatibility and good dilution stability and preparation method thereof | 万华化学集团股份有限公司 | 2025-02-18 | — | — | CN | claimed |
| CN-115286588-B | Process for the preparation of pentamethylene isocyanurate | 中海油常州涂料化工研究院有限公司 | 2024-07-09 | — | — | CN | claimed |
| CN-117186020-A | Preparation method of pentamethylene diisocyanate trimer | 中海油常州涂料化工研究院有限公司 | 2023-12-08 | — | — | CN | claimed |
| CN-117106528-A | Semiconductor substrate cleaning liquid composition | JL化学株式会社 | 2023-11-24 | — | — | CN | claimed |
| CN-116041665-A | Preparation method of isocyanate curing agent with high trimer content | 南京工业大学 | 2023-05-02 | — | — | CN | claimed |
| CN-115651162-A | Polyisocyanate composition with low free monomer, high compatibility and good open-dilution stability and preparation method thereof | 万华化学集团股份有限公司 | 2023-01-31 | — | — | CN | claimed |
| CN-115286588-A | Process for preparing pentamethylene isocyanurate | 中海油常州涂料化工研究院有限公司 | 2022-11-04 | — | — | CN | claimed |
| CN-110982045-B | Low-viscosity and low-color-number isocyanate curing agent, and preparation method and application thereof | 万华化学集团股份有限公司 | 2022-01-07 | — | — | CN | claimed |
| CN-113430070-A | CoWP-compatible semi-aqueous cleaning solution, and preparation method and application thereof | 上海新阳半导体材料股份有限公司 | 2021-09-24 | — | — | CN | claimed |
| CN-113430069-A | Low-hydroxylamine water-based cleaning solution, and preparation method and application thereof | 上海新阳半导体材料股份有限公司 | 2021-09-24 | — | — | CN | claimed |
| EP-2122418-A2 | STRIPPER FOR COATING LAYER | AZ Electronic Materials USA Corp. (US) | 2009-11-25 | — | — | EP | claimed |
| CN-101578556-A | Stripper for coating layer | AZ ELECTRONIC MATERIALS USA (US) | 2009-11-11 | — | — | CN | claimed |
| US-20090120457-A1 | COMPOSITIONS AND METHOD FOR REMOVING COATINGS AND PREPARATION OF SURFACES FOR USE IN METAL FINISHING, AND MANUFACTURING OF ELECTRONIC AND MICROELECTRONIC DEVICES | SURFACE CHEMISTRY DISCOVERIES, INC. (US) | 2009-05-14 | — | — | US | claimed |
| WO-2008081416-A2 | STRIPPER FOR COATING LAYER | AZ ELECTRONIC MATERIALS USA CORP. (DE) | 2008-07-10 | — | — | WO | claimed |
| US-20080161217-A1 | Stripper for Coating Layer | MERCK PATENT GMBH (DE) | 2008-07-03 | — | — | US | claimed |
| EP-1027415-A1 | CLEANING COMPOSITIONS AND METHODS FOR CLEANING RESIN AND POLYMERIC MATERIALS USED IN MANUFACTURE | Kyzen Corporation (US) | 2000-08-16 | — | — | EP | claimed |
| WO-1999016855-A1 | CLEANING COMPOSITIONS AND METHODS FOR CLEANING RESIN AND POLYMERIC MATERIALS USED IN MANUFACTURE | KYZEN CORPORATION (US) | 1999-04-08 | — | — | WO | claimed |
| US-4339340-A | HYDROXYLAKYL/TRIALKYLAMMONIUM HYDROXIDE | TOKYO SHIBAURA ELECTRIC CO., LTD. (JP) | 1982-07-13 | — | — | US | claimed |
| US-4239661-A | HYDROXYALKYL TRIALKYLAMMONIUM HYDROXIDE | TOKYO SHIBAURA ELECTRIC CO., LTD. (JP) | 1980-12-16 | — | — | US | claimed |
| US-4172005-A | Method of etching a semiconductor substrate | TOKYO SHIBAURA ELECTRIC CO., LTD. (JP) | 1979-10-23 | — | — | US | claimed |