⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28651781 | 0.97 | — | — | |
| SCHEMBL4544256 | 0.94 | TSHR (0.32) | — | |
| SCHEMBL36809 | 0.94 | — | — | |
| SCHEMBL28005172 | 0.92 | — | — | |
| SCHEMBL29101250 | 0.92 | — | — | |
| SCHEMBL544220 | 0.92 | — | — | |
| Water SCHEMBL10816175 | 0.92 | — | — | |
| SCHEMBL26622357 | 0.92 | — | — | |
| SCHEMBL87954 | 0.92 | — | — | |
| Allyl Alcohol SCHEMBL11615650 | 0.86 | TSHR (0.47) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7390418-B2 | Method of reducing chemical oxygen contaminants in water | TRUOX, INC. (US) | 2008-06-24 | — | — | US | claimed |
| US-20050284821-A1 | Method of reducing chemical oxygen contaminants in water | TRUOX, INC. | 2005-12-29 | — | — | US | claimed |
| US-6878289-B2 | Method of reducing chemical oxygen demand in water | TRUOX, INC. (US) | 2005-04-12 | — | — | US | claimed |
| WO-2005019112-A2 | A METHOD OF REDUCING CHEMICAL OXYGEN CONTAMINANTS IN WATER | MATERIALS TECHNOLOGY LABORATORIES, INC. (US) | 2005-03-03 | — | — | WO | claimed |
| US-20050035067-A1 | METHOD OF REDUCING CHEMICAL OXYGEN DEMAND IN WATER | TRUOX, INC. | 2005-02-17 | — | — | US | claimed |
| US-7390418-B2 | Method of reducing chemical oxygen contaminants in water | TRUOX, INC. (US) | 2008-06-24 | — | — | US | disclosed |
| US-20050284821-A1 | Method of reducing chemical oxygen contaminants in water | TRUOX, INC. | 2005-12-29 | — | — | US | disclosed |