⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2964271 | 0.87 | — | — | |
| SCHEMBL6254342 | 0.84 | — | — | |
| SCHEMBL3861194 | 0.84 | — | — | |
| SCHEMBL9953302 | 0.84 | — | — | |
| SCHEMBL9952499 | 0.84 | — | — | |
| SCHEMBL2971897 | 0.84 | — | — | |
| SCHEMBL2955357 | 0.84 | — | — | |
| SCHEMBL3861859 | 0.84 | — | — | |
| SCHEMBL1666440 | 0.75 | — | — | |
| SCHEMBL10601428 | 0.69 | CYP1A2 (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 230 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114763312-A | Method for inducing H halogenation in C-H on benzene ring or heterocyclic ring by ultraviolet light | 中国科学院大连化学物理研究所 | 2022-07-19 | — | — | CN | claimed |
| 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 |
| CN-101993416-A | Quinoline compound and preparation method thereof, medicament combination containing compound and application of compound | SHANGHAI INST MATERIA MEDICA | 2011-03-30 | — | — | CN | claimed |
| US-20090018354-A1 | PREPARATION OF ALPHA-HYDROXY AND ALPHA-AMINO KETONES | CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) | 2009-01-15 | — | — | 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 |
| CN-1195347-A | Substituted arylsulfonylamino (thio) carbonyl triazolin (thi) ones | BAYER AG (DE) | 1998-10-07 | — | — | CN | claimed |
| CN-1192208-A | Phenylpyridazinones | BAYER AG (DE) | 1998-09-02 | — | — | CN | claimed |
| WO-1998014450-A1 | PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF | NOVARTIS AG (CH) | 1998-04-09 | — | — | WO | claimed |
| CN-1169723-A | Sulfamidyl (thio) carbonyl-1,2,4-triazolineone derivative and preparation method and application as weed killer | BAYER AG (DE) | 1998-01-07 | — | — | CN | claimed |
| CN-1160988-A | Selective herbicides based on carbamoyltriazolinones and heteroaryloxyacetamides | BAYER AG (DE) | 1997-10-01 | — | — | CN | claimed |
| CN-1155282-A | Substituted aromatic thiocarboxamides and their use as herbicides | BAYER AG (DE) | 1997-07-23 | — | — | CN | claimed |
| US-4668397-A | CYCLODIMERIZATION, TETRAPEPTIDES | AGENCY OF INDUSTRIAL SCIENCE & TECHNOLOGY (JP) | 1987-05-26 | — | — | US | claimed |
| US-4473567-A | Substituted-imidazolidinyl-3-chloro-3-cephem-4-carboxylic acid | SHIONOGI & CO., LTD. (JP) | 1984-09-25 | — | — | US | claimed |
| US-4339575-A | PURIFICATION, CYCLIZATION WITH ALDEHYDE OR KETONE, CRYSTALLIZATION, HYDROLYSIS | SHIONOGI & CO., LTD. (JP) | 1982-07-13 | — | — | 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 |