⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL37544 | 0.77 | HDAC1 (0.39) | — | |
| Hydrochloric Acid SCHEMBL20590135 | 0.75 | HDAC1 (0.37) | — | |
| SCHEMBL193288 | 0.75 | HDAC1 (0.37) | — | |
| SCHEMBL420985 | 0.73 | TP53 (0.42) | — | |
| SCHEMBL600804 | 0.72 | — | — | |
| SCHEMBL419967 | 0.72 | TP53 (0.50) | — | |
| SCHEMBL421992 | 0.70 | TSHR (0.35) | — | |
| SCHEMBL754171 | 0.70 | TP53 (0.48) | — | |
| SCHEMBL270921 | 0.69 | THRB (0.32) | — | |
| SCHEMBL2231703 | 0.68 | TSHR (0.33) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8343771-B2 | Methods of using cyanine dyes for the detection of analytes | GENERAL ELECTRIC COMPANY (US) | 2013-01-01 | — | — | US | claimed |
| WO-2009155282-A1 | TUNGSTATE BASED CORROSION INHIBITORS | NALCO COMPANY (US) | 2009-12-23 | — | — | WO | claimed |
| EP-1344866-B1 | Coating agent | SUEDZUCKER AG (DE) | 2008-10-15 | — | — | EP | claimed |
| US-8343771-B2 | Methods of using cyanine dyes for the detection of analytes | GENERAL ELECTRIC COMPANY (US) | 2013-01-01 | — | — | US | disclosed |
| WO-2010005889-A1 | PREVENTING SILICA AND SILICATE SCALE WITH INHIBITORS IN INDUSTRIAL WATER SYSTEMS | LUBRIZOL ADVANCED MATERIALS, INC. (US) | 2010-01-14 | — | — | WO | disclosed |
| CN-1262489-C | Method for controlling scale formation and deposition in aquesous systems | GE BETZ INC (US) | 2006-07-05 | — | — | CN | disclosed |
| CN-1568292-A | Superplasticizer for concrete and self-leveling compounds | HERCULES INC (US) | 2005-01-19 | — | — | CN | disclosed |
| CN-1496338-A | Method for controlling scale formation and deposition in aquesous systems | GE ���Ĺ�˾ | 2004-05-12 | — | — | CN | disclosed |
| CN-1083405-C | Method for prevention of scale formation in aqueous systems | ROHM & HAAS (US) | 2002-04-24 | — | — | CN | disclosed |
| CN-1307649-A | Inhibition of silica and silicate deposition | BETZDEARBORN INC (US) | 2001-08-08 | — | — | CN | disclosed |
| CN-1144779-A | Method for prevention of scale formation in aqueous systems | ROHM & HAAS (US) | 1997-03-12 | — | — | CN | disclosed |