⚠ 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL474 | 1.00 | — | — | |
| Trifluoroacetic Acid SCHEMBL30657022 | 1.00 | — | — | |
| Trifluoroacetic Acid SCHEMBL7814389 | 1.00 | ALDH1A1 (0.44) | — | |
| Trifluoroacetic Acid SCHEMBL2484766 | 1.00 | ALDH1A1 (0.44) | — | |
| Trifluoroacetic Acid SCHEMBL25297651 | 0.95 | ALDH1A1 (0.42) | — | |
| Trifluoroacetic Acid SCHEMBL20571142 | 0.95 | — | — | |
| Trifluoroacetic Acid SCHEMBL901584 | 0.95 | — | — | |
| Trifluoroacetic Acid SCHEMBL21802705 | 0.95 | ALDH1A1 (0.42) | — | |
| Trifluoroacetic Acid SCHEMBL22712611 | 0.95 | — | — | |
| Trifluoroacetic Acid SCHEMBL20541014 | 0.95 | — | — |
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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114008043-B | Condensed heterocyclic compounds and their use as pest control agents | PI工业有限公司 | 2024-06-07 | — | — | CN | disclosed |
| EP-3983411-A1 | FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS PEST CONTROL AGENTS | PI Industries Ltd. (IN) | 2022-04-20 | — | — | EP | disclosed |
| CN-114008043-A | Fused heterocyclic compound and use thereof as pest control agent | PI工业有限公司 | 2022-02-01 | — | — | CN | disclosed |
| WO-2020250183-A1 | FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS PEST CONTROL AGENTS | PI INDUSTRIES LTD. (IN) | 2020-12-17 | — | — | WO | disclosed |
| CN-106187824-A | A kind of131the preparation method of the meta iodobenzyl guanidine of I labelling | 江苏省原子医学研究所 | 2016-12-07 | — | — | CN | disclosed |
| WO-2013005157-A1 | SULFONE DERIVATIVES AND THEIR USE AS PKM2 MODULATORS FOR THE TREATMENT OF CANCER | LUPIN LIMITED (IN) | 2013-01-10 | — | — | WO | disclosed |
| CN-101346141-A | Quinoline derivatives useful in the treatment of MGLUR5 receptor-mediated disorders | RICHTER GEDEON NYRT (HU) | 2009-01-14 | — | — | CN | disclosed |
| EP-1592734-B1 | ELECTRICALLY CONDUCTIVE PLASTICS MOULDED ARTICLE | BIOTECHNOLOG FORSCHUNG GMBH (DE) | 2008-04-09 | — | — | EP | disclosed |
| WO-2008015429-A2 | PHARMACEUTICAL COMPOUNDS | SENTINEL ONCOLOGY LIMITED (GB) | 2008-02-07 | — | — | WO | disclosed |
| EP-1592734-A2 | ELECTRICALLY CONDUCTIVE PLASTICS MOULDED ARTICLE | Gesellschaft für biotechnologische Forschung mbH (GBF) (DE) | 2005-11-09 | — | — | EP | disclosed |
| US-6420314-B1 | GRIGNARD ARYLATION OF A 3-FLUOROPYRIDINE; DESICCANTS, DEFOLIANTS; SELECTIVITY; ACTING AGAINST BROAD-LEAF AND GRASS WEEDS IN CROPS SUCH AS WHEAT, RICE, MAIZE, SOYA AND COTTON | BASF AKTIENGESELLSCHAFT (DE) | 2002-07-16 | — | — | US | disclosed |
| US-6191280-B1 | REACTING SUBSTITUTED 2-HALOPYRIDINE DERIVATIVE WITH A THIO COMPOUND IN PRESENCE OF COPPER CATALYST TO GIVE A PYRIDINE THIOETHER, AND THEN OXIDIZING THE THIOETHER INTERMEDIATE TO FORM SULFOXIDE OR SULFONE COMPOUNDS | BASF AKTIENGESELLSCHAFT (DE) | 2001-02-20 | — | — | US | disclosed |
| US-6124469-A | Process for preparing sulphurous 2-chloro-3-(4,5-dihydroisoxazol-3-yl)-benzoic acids | BASF AKTIENGESELLSCHAFT (DE) | 2000-09-26 | — | — | US | disclosed |
| EP-0765328-B1 | PIRYDYL IMIDAZOLE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF | KOREA RES INST CHEM TECH (KR) | 2000-08-30 | — | — | EP | disclosed |
| US-5691348-A | INHIBITORS OF ANGIOTENSIN II AS HYPOTENSIVE AGENTS FORMED IN MULTISTAGE PROCESS BY CONDENSATION WITH A CARBOXYLIC ACID, REACTION IN PRESENCE OF BASE, REACTION IN THE PRESENCE OF TETRAKIS/TRIPHENYLPHOSPHINE/PALLADIUM AND OXIDATION | DAEWOO ELECTRONICS CO., LTD. (KR) | 1997-11-25 | — | — | US | disclosed |
| EP-0765328-A1 | PIRYDYL IMIDAZOLE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF | KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) | 1997-04-02 | — | — | EP | disclosed |
| WO-1995034564-A1 | PIRYDYL IMIDAZOLE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF | KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) | 1995-12-21 | — | — | WO | disclosed |
| US-4616087-A | ANTIVIRAL ACTIVITY | THE DOW CHEMICAL COMPANY (US) | 1986-10-07 | — | — | US | disclosed |
| US-4576945-A | ANTITUMOR | SANDERS MARK E | 1986-03-18 | — | — | US | disclosed |
| US-4371537-A | Sulfur-substituted phenoxypyridines having antiviral activity | THE DOW CHEMICAL COMPANY (US) | 1983-02-01 | — | — | US | disclosed |