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 | |
|---|---|---|---|---|
| SCHEMBL193840 | 0.97 | — | — | |
| SCHEMBL9748138 | 0.97 | — | — | |
| SCHEMBL9748670 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL194776 | 0.93 | — | — | |
| Iodide SCHEMBL1502780 | 0.93 | — | — | |
| Fluoride Ion SCHEMBL1502834 | 0.93 | — | — | |
| Bromide SCHEMBL1502778 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL9748547 | 0.93 | — | — | |
| Water SCHEMBL22462356 | 0.93 | MAPT (0.40) | — | |
| Water SCHEMBL11879378 | 0.93 | MAPT (0.40) | — |
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 626 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-120059120-A | Dual-curable polyurea formate acrylate composition | 万华化学集团股份有限公司 | 2025-05-30 | — | — | CN | claimed |
| CN-117534816-A | Polyisocyanate composition, preparation method and coating composition | 万华化学（宁波）有限公司 | 2024-02-09 | — | — | CN | claimed |
| CN-112080279-A | Etching composition | 关东鑫林科技股份有限公司 | 2020-12-15 | — | — | CN | claimed |
| CN-109939977-A | Resin mask removes cleaning method | 花王株式会社 | 2019-06-28 | — | — | CN | claimed |
| EP-2099838-B1 | METHOD FOR PRODUCING POLYISOCYANATES | BASF SE (DE) | 2017-06-14 | — | — | EP | claimed |
| US-8445622-B2 | Process for preparing polyisocyanates | BASF SE (DE) | 2013-05-21 | — | — | US | claimed |
| EP-2389403-A1 | POLYURETHANE SEALING COMPOUNDS | Bayer MaterialScience AG (DE) | 2011-11-30 | — | — | EP | claimed |
| US-20110281966-A1 | POLYURETHANE SEALING COMPOUNDS | COVESTRO DEUTSCHLAND AG (DE) | 2011-11-17 | — | — | US | claimed |
| US-20110257454-A1 | Use of an Additive in the Coupling of Toluene with a Carbon Source | FINA TECHNOLOGY, INC. (US) | 2011-10-20 | — | — | US | claimed |
| US-20100292396-A1 | PROCESS FOR PREPARING POLYISOCYANATES | BASF SE (DE) | 2010-11-18 | — | — | US | claimed |
| EP-2099838-A1 | METHOD FOR PRODUCING POLYISOCYANATES | BASF SE (DE) | 2009-09-16 | — | — | EP | claimed |
| WO-2008068198-A1 | METHOD FOR PRODUCING POLYISOCYANATES | BASF SE (DE) | 2008-06-12 | — | — | WO | claimed |
| EP-0330966-B1 | Process for the preparation of polyisocyanates containing isocyanurate groups | BAYER AG (DE) | 1994-03-30 | — | — | EP | claimed |
| EP-0099071-B1 | PROCESS FOR THE PREPARATION OF MONOBENZOYLATED 1,4-DIAMINOANTHRAQUINONES | BAYER AG (DE) | 1988-06-29 | — | — | EP | claimed |
| EP-0099071-A2 | Process for the preparation of monobenzoylated 1,4-diaminoanthraquinones | BAYER AG (DE) | 1984-01-25 | — | — | EP | claimed |
| EP-0025926-B1 | PROCESS FOR THE PREPARATION OF MONOAROYLATED 1,4-DIAMINO ANTHRAQUINONES | BAYER AG (DE) | 1982-11-24 | — | — | EP | claimed |
| US-4324879-A | Process for the preparation of polyisocyanates containing isocyanurate groups and the use thereof | BAYER AKTIENGESELLSCHAFT (DE) | 1982-04-13 | — | — | US | claimed |
| US-4324732-A | IN PRESENCE OF TERITIARY ALIPHATIC AMINOALCOHOL AND/OR QUARTERNARY AMMONIUM COMPOUND | BAYER AKTIENGESELLSCHAFT (DE) | 1982-04-13 | — | — | US | claimed |
| EP-0025926-A1 | Process for the preparation of monoaroylated 1,4-diamino anthraquinones | BAYER AG (DE) | 1981-04-01 | — | — | EP | claimed |
| US-3981686-A | CATIONIC FLOCCULANT | INTERMOUNTAIN RESEARCH AND DEVELOPMENT CORPORATION (US) | 1976-09-21 | — | — | US | claimed |