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 SCHEMBL1539 | 0.82 | — | — | |
| Water SCHEMBL3923379 | 0.82 | — | — | |
| Water SCHEMBL28370748 | 0.82 | — | — | |
| Water SCHEMBL8050234 | 0.82 | — | — | |
| Water SCHEMBL973253 | 0.82 | — | — | |
| Water SCHEMBL11326285 | 0.82 | — | — | |
| Water SCHEMBL9347096 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL1727377 | 0.67 | — | — | |
| Water SCHEMBL9458590 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL206473 | 0.67 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040194960-A1 | High temperature flexible cementing compositions and methods for using the same | BJ SERVICES COMPANY | 2004-10-07 | — | — | US | disclosed |
| US-6729405-B2 | INTRODUCING A CEMENT SLURRY OF A HYDRAULIC CEMENT BASE AND A NATURAL MINERAL FIBER INTO WELLBORE; ALLOWING THE SLURRY TO CURE WITHIN THE WELLBORE TO FORM A HARDENED CEMENT | BJ SERVICES COMPANY | 2004-05-04 | — | — | US | disclosed |
| US-6626243-B1 | Methods and compositions for use in cementing in cold environments | BJ SERVICES COMPANY | 2003-09-30 | — | — | US | disclosed |
| US-20020157575-A1 | High temperature flexible cementing compositions and methods for using same | BJ SERVICES COMPANY | 2002-10-31 | — | — | US | disclosed |
| US-6230804-B1 | Stress resistant cement compositions and methods for using same | BJ SERVICES COMPANY | 2001-05-15 | — | — | US | disclosed |
| US-6145591-A | Method and compositions for use in cementing | BJ SERVICES COMPANY (US) | 2000-11-14 | — | — | US | disclosed |