⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2965089 | 0.75 | — | — | |
| SCHEMBL249660 | 0.72 | — | — | |
| SCHEMBL2964271 | 0.71 | — | — | |
| SCHEMBL3861859 | 0.69 | — | — | |
| SCHEMBL6254342 | 0.69 | — | — | |
| SCHEMBL9952499 | 0.69 | — | — | |
| SCHEMBL3861194 | 0.69 | — | — | |
| SCHEMBL2955357 | 0.69 | — | — | |
| SCHEMBL9953302 | 0.69 | — | — | |
| SCHEMBL2971897 | 0.69 | — | — |
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 224 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8575394-B2 | Preparation of alpha-hydroxyketones | BASF SE (DE) | 2013-11-05 | — | — | US | claimed |
| US-20120289721-A1 | PREPARATION OF ALPHA-HYDROXYKETONES | IGM GROUP B.V. (NL) | 2012-11-15 | — | — | US | claimed |
| US-7625841-B2 | Substituted thiene-3-ylsulphonylamino(thio)carbonyltriazolin(ethi)ones | BAYER CROPSCIENCE AG (DE) | 2009-12-01 | — | — | US | claimed |
| US-20090018354-A1 | PREPARATION OF ALPHA-HYDROXY AND ALPHA-AMINO KETONES | CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) | 2009-01-15 | — | — | US | claimed |
| US-20080269061-A1 | Substituted thiene-3-ylsulphonylamino(thio)carbonyltriazolin(ethi)ones | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2008-10-30 | — | — | US | claimed |
| US-20080214552-A1 | Substituted Pyridazinecarboxamides and Derivatives Thereof | BAYER CROPSCIENCE AG (DE) | 2008-09-04 | — | — | US | claimed |
| EP-1930313-A2 | Preparation of alpha-aminoketones | Ciba Holding Inc. (CH) | 2008-06-11 | — | — | EP | claimed |
| US-7276567-B2 | Heterocyclic substituted metallocene compounds for olefin polymerization | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2007-10-02 | — | — | US | claimed |
| EP-1771430-A2 | PREPARATION OF ALPHA-HYDROXY AND ALPHA-AMINO KETONES | Ciba Specialty Chemicals Holding Inc. (CH) | 2007-04-11 | — | — | EP | claimed |
| EP-1763303-A1 | SUBSTITUTED PYRIDAZINE CARBOXAMIDES AND DERIVATIVES THEREOF | Bayer CropScience Aktiengesellschaft (DE) | 2007-03-21 | — | — | EP | claimed |
| WO-2006005682-A2 | PREPARATION OF ALPHA-HYDROXY AND ALPHA-AMINO KETONES | CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) | 2006-01-19 | — | — | WO | claimed |
| WO-2006000333-A1 | SUBSTITUTED PYRIDAZINE CARBOXAMIDES AND DERIVATIVES THEREOF | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2006-01-05 | — | — | WO | claimed |
| US-20050014809-A1 | Substituted thien-3-yl-sulphonylamino(thio)carbonyl-triazolin(thi)ones | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2005-01-20 | — | — | US | claimed |
| EP-1443822-A1 | SUBSTITUTED THIEN-3-YL-SULFONYLAMINO(THIO)CARBONYL-TRIAZOLIN(THI)ONES | Bayer CropScience AG (DE) | 2004-08-11 | — | — | EP | claimed |
| WO-2003037086-A1 | SUBSTITUTED THIEN-3-YL-SULFONYLAMINO(THIO)CARBONYL-TRIAZOLIN(THI)ONES | BAYER CROPSCIENCE AG (DE) | 2003-05-08 | — | — | WO | claimed |
| US-20030003358-A1 | Thermal runaway inhibitors | ENERGY, UNITED STATES, DEPARTMENT OF | 2003-01-02 | — | — | US | claimed |
| US-4129414-A | Oxidation hair colorants containing water-soluble polyhalogen 3-aminophenols as couplers | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) | 1978-12-12 | — | — | US | claimed |
| US-11807781-B2 | One-component (1K) thermosetting powder coating compositions for impact resistant and low gloss consistent matt powder coatings | COVESTRO (NETHERLANDS) B.V. (NL) | 2023-11-07 | — | — | US | disclosed |
| US-3969392-A | PARASITICIDE, BACTERICIDE, ANTIINFLAMMATORY, SURFACTANT | E. R. SQUIBB & SONS, INC. (US) | 1976-07-13 | — | — | US | disclosed |
| US-3935230-A | α, α, α, α', α', α'-Hexafluorodi-m-tolylamine derivatives | E. R. SQUIBB & SONS, INC. (US) | 1976-01-27 | — | — | US | disclosed |