⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1532349 | 0.92 | — | — | |
| SCHEMBL11847300 | 0.90 | TDP1 (0.65) | — | |
| SCHEMBL11835401 | 0.90 | TDP1 (0.65) | — | |
| SCHEMBL4660182 | 0.90 | TDP1 (0.65) | — | |
| SCHEMBL29114294 | 0.90 | TDP1 (0.65) | — | |
| SCHEMBL1085613 | 0.83 | — | — | |
| SCHEMBL6234311 | 0.81 | — | — | |
| SCHEMBL6136620 | 0.78 | NOS3 (0.50) | — | |
| SCHEMBL6960158 | 0.76 | — | — | |
| SCHEMBL2736682 | 0.76 | — | — |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3390401-A1 | HETERO-1,5,6,7-TETRAHYDRO-4H-INDOL-4-ONES | Bayer Pharma Aktiengesellschaft (DE) | 2018-10-24 | — | — | EP | disclosed |
| WO-2017102649-A1 | HETERO-1,5,6,7-TETRAHYDRO-4H-INDOL-4-ONES | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2017-06-22 | — | — | WO | disclosed |
| CN-101977504-B | Fungicide hydroximoyl-tetrazole derivatives | BAYER CROPSCIENCE SA | 2014-11-26 | — | — | CN | disclosed |
| US-8466176-B2 | Fungicide hydroximoyl-tetrazole derivatives | BAYER CROPSCIENCE AG (DE) | 2013-06-18 | — | — | US | disclosed |
| US-20110105566-A1 | FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2011-05-05 | — | — | US | disclosed |
| CN-101977504-A | Fungicide hydroximoyl-tetrazole derivatives | BAYER CROPSCIENCE SA | 2011-02-16 | — | — | CN | disclosed |
| EP-2265118-A2 | FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES | Bayer CropScience AG (DE) | 2010-12-29 | — | — | EP | disclosed |
| WO-2009115557-A2 | FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES | BAYER CROPSCIENCE SA (FR) | 2009-09-24 | — | — | WO | disclosed |
| US-5362708-A | 6-Chloro-3-/p-fluorophenyl/pyridazin-4-yl S-octyl thiocarbonate | AGROLINZ AGRARCHEMIKALIEN GMBH (AT) | 1994-11-08 | — | — | US | disclosed |
| US-4654355-A | 7-oxabicycloheptane substituted amide-thioamide prostaglandin analogs | E. R. SQUIBB & SONS, INC. (US) | 1987-03-31 | — | — | US | disclosed |
| EP-0093384-B1 | THIOPHENE DERIVATIVES AND FUNGICIDAL COMPOSITION CONTAINING THE SAME | UBE INDUSTRIES, LTD. (JP) | 1986-06-11 | — | — | EP | disclosed |
| US-4545802-A | PYRAZOLINE COMPOUNDS AS NITRIFICATION INHIBITORS OF NITROGEN FERTILIZERS | THE DOW CHEMICAL COMPANY (US) | 1985-10-08 | — | — | US | disclosed |
| US-4454131-A | FUNGICIDES | UBE INDUSTRIES, LTD. (JP) | 1984-06-12 | — | — | US | disclosed |
| EP-0093384-A1 | Thiophene derivatives and fungicidal composition containing the same | UBE INDUSTRIES, LTD. (JP) | 1983-11-09 | — | — | EP | disclosed |
| US-4228289-A | POSTEMERGENCE HERBICIDES | OLIN CORPORATION (US) | 1980-10-14 | — | — | US | disclosed |
| US-4207089-A | Thiolcarbamate derivatives of 3-trihalomethyl-1,2,4-thiadiazoles and their use as herbicides | OLIN CORPORATION (US) | 1980-06-10 | — | — | US | disclosed |
| US-4040812-A | Herbicidal carbonates and thiocarbonates of thiadiazolyl-2(1H)-pyrimidinones | VELSICOL CHEMICAL CORPORATION (US) | 1977-08-09 | — | — | US | disclosed |
| US-3975538-A | O-ALKOXYCARBONYL-2-ALKOXY-1-NAPHTHOHYDROXAMATES | TAKEDA CHEMICAL INDUSTRIES, INC. (JA) | 1976-08-17 | — | — | US | disclosed |
| US-3953445-A | HERBICIDES | CHEMIE LINZ AKTIENGESELLSCHAFT (OE) | 1976-04-27 | — | — | US | disclosed |