Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of None. 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 | |
|---|---|---|---|---|
| SCHEMBL1534128 | 0.84 | CA1 (0.36) | — | |
| SCHEMBL4848140 | 0.81 | CA2 (0.30) | — | |
| SCHEMBL28090390 | 0.80 | — | — | |
| SCHEMBL1534181 | 0.79 | — | — | |
| N,N-Dimethylethanaminium SCHEMBL9980776 | 0.75 | CA2 (0.33) | — | |
| SCHEMBL444614 | 0.75 | NPSR1 (0.36) | — | |
| Propane SCHEMBL2200005 | 0.74 | — | — | |
| SCHEMBL17509696 | 0.73 | CA2 (0.32) | — | |
| SCHEMBL1229989 | 0.73 | CA2 (0.32) | — | |
| SCHEMBL5547388 | 0.73 | CA2 (0.32) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6972274-B1 | Method of improving the permeability of an underground petroleum-containing formation | AKZO NOBEL N.V. (NL) | 2005-12-06 | — | — | US | claimed |
| EP-1509587-A1 | CLEANING AND DEGREASING PREMIX COMPOSITIONS WITH LOW VOC | Akzo Nobel N.V. (NL) | 2005-03-02 | — | — | EP | claimed |
| US-20030228991-A1 | Premix compositions suitable for the preparation of aqueous or semi-aqueous cleaning and degreasing formulations with low VOCs. | AKZO NOBEL N.V. (NL) | 2003-12-11 | — | — | US | claimed |
| WO-2003102119-A1 | CLEANING AND DEGREASING PREMIX COMPOSITIONS WITH LOW VOC | AKZO NOBEL N.V. (NL) | 2003-12-11 | — | — | WO | claimed |
| WO-2001023703-A1 | A METHOD OF IMPROVING THE PERMEABILITY OF AN UNDERGROUND PETROLEUM-CONTAINING FORMATION | AKZO NOBEL N.V. (NL) | 2001-04-05 | — | — | WO | claimed |
| US-6972274-B1 | Method of improving the permeability of an underground petroleum-containing formation | AKZO NOBEL N.V. (NL) | 2005-12-06 | — | — | US | disclosed |
| EP-1509587-A1 | CLEANING AND DEGREASING PREMIX COMPOSITIONS WITH LOW VOC | Akzo Nobel N.V. (NL) | 2005-03-02 | — | — | EP | disclosed |
| US-20030228991-A1 | Premix compositions suitable for the preparation of aqueous or semi-aqueous cleaning and degreasing formulations with low VOCs. | AKZO NOBEL N.V. (NL) | 2003-12-11 | — | — | US | disclosed |
| WO-2003102119-A1 | CLEANING AND DEGREASING PREMIX COMPOSITIONS WITH LOW VOC | AKZO NOBEL N.V. (NL) | 2003-12-11 | — | — | WO | disclosed |
| WO-2001023703-A1 | A METHOD OF IMPROVING THE PERMEABILITY OF AN UNDERGROUND PETROLEUM-CONTAINING FORMATION | AKZO NOBEL N.V. (NL) | 2001-04-05 | — | — | WO | disclosed |