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 SCHEMBL6161417 | 0.89 | — | — | |
| Water SCHEMBL6158077 | 0.89 | — | — | |
| Water SCHEMBL6157357 | 0.89 | — | — | |
| Water SCHEMBL1792338 | 0.87 | — | — | |
| Water SCHEMBL3370897 | 0.87 | — | — | |
| Water SCHEMBL6035405 | 0.75 | — | — | |
| Water SCHEMBL27621630 | 0.75 | — | — | |
| Water SCHEMBL28453859 | 0.75 | — | — | |
| Water SCHEMBL28857200 | 0.75 | — | — | |
| SCHEMBL3748135 | 0.71 | — | — |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111334034-B | Polyamide moulding compositions for glass composites | EMS 专利股份公司 | 2024-02-27 | — | — | CN | claimed |
| US-20240026079-A1 | POLYAMIDE MOULDING COMPOSITIONS FOR GLASS COMPOSITES | EMS-PATENT AG (CH) | 2024-01-25 | — | — | US | claimed |
| US-11807718-B2 | Polyamide moulding compositions for glass composites | EMS-PATENT AG (CH) | 2023-11-07 | — | — | US | claimed |
| CN-111334034-A | Polyamide moulding compositions for glass composites | EMS 专利股份公司 | 2020-06-26 | — | — | CN | claimed |
| US-20200199362-A1 | POLYAMIDE MOULDING COMPOSITIONS FOR GLASS COMPOSITES | EMS-PATENT AG (CH) | 2020-06-25 | — | — | US | claimed |
| CN-1741993-A | Process for producing cyclic amines | NEW JAPAN CHEM CO LTD (JP) | 2006-03-01 | — | — | CN | claimed |
| CN-111334034-B | Polyamide moulding compositions for glass composites | EMS 专利股份公司 | 2024-02-27 | — | — | CN | disclosed |
| US-20240026079-A1 | POLYAMIDE MOULDING COMPOSITIONS FOR GLASS COMPOSITES | EMS-PATENT AG (CH) | 2024-01-25 | — | — | US | disclosed |
| US-11807718-B2 | Polyamide moulding compositions for glass composites | EMS-PATENT AG (CH) | 2023-11-07 | — | — | US | disclosed |
| CN-111334034-A | Polyamide moulding compositions for glass composites | EMS 专利股份公司 | 2020-06-26 | — | — | CN | disclosed |
| US-20200199362-A1 | POLYAMIDE MOULDING COMPOSITIONS FOR GLASS COMPOSITES | EMS-PATENT AG (CH) | 2020-06-25 | — | — | US | disclosed |
| EP-1566372-B1 | METHOD OF HYDROGENATION REACTION | NEW JAPAN CHEM CO LTD (JP) | 2018-01-10 | — | — | EP | disclosed |
| CN-1290811-C | Liquid plant unsaturated alcohol and production method thereof | NEW JAPAN CHEM CO LTD (JP) | 2006-12-20 | — | — | CN | disclosed |
| CN-1741993-A | Process for producing cyclic amines | NEW JAPAN CHEM CO LTD (JP) | 2006-03-01 | — | — | CN | disclosed |
| EP-1566372-A1 | METHOD OF HYDROGENATION REACTION | NEW JAPAN CHEMICAL CO.,LTD. (JP) | 2005-08-24 | — | — | EP | disclosed |
| CN-1646457-A | Liquid vegetable unsaturated alcohol and process for producing the same | NEW JAPAN CHEM CO LTD (JP) | 2005-07-27 | — | — | CN | disclosed |
| US-20020183564-A1 | PROCESS FOR PRODUCING AN ALICYCLIC UNSATURATED ALCOHOL | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2002-12-05 | — | — | US | disclosed |
| US-6482995-B1 | Process for producing an alicyclic unsaturated alcohol | DAICEL CHEMICAL INDUSTRIES, LTD (JP) | 2002-11-19 | — | — | US | disclosed |