⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1532352 | 0.92 | — | — | |
| SCHEMBL11835407 | 0.90 | CA12 (0.59) | — | |
| SCHEMBL9300066 | 0.90 | CA12 (0.59) | — | |
| SCHEMBL11847304 | 0.90 | CA12 (0.59) | — | |
| SCHEMBL8630087 | 0.84 | CA12 (0.52) | — | |
| SCHEMBL2823338 | 0.83 | — | — | |
| SCHEMBL11770153 | 0.80 | CA12 (0.41) | — | |
| SCHEMBL6577991 | 0.78 | CA12 (0.54) | — | |
| SCHEMBL6810333 | 0.76 | — | — | |
| SCHEMBL10849187 | 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 11 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 |
| US-5362708-A | 6-Chloro-3-/p-fluorophenyl/pyridazin-4-yl S-octyl thiocarbonate | AGROLINZ AGRARCHEMIKALIEN GMBH (AT) | 1994-11-08 | — | — | US | disclosed |
| US-5171356-A | Thiolcarbamate and nonphytotoxic extender which minimizes soil degradation | ICI AMERICAS INC. (US) | 1992-12-15 | — | — | US | disclosed |
| EP-0175332-B1 | HERBICIDE COMPOSITIONS OF EXTENDED SOIL LIFE | STAUFFER CHEMICAL COMPANY (US) | 1992-03-18 | — | — | EP | disclosed |
| US-4654355-A | 7-oxabicycloheptane substituted amide-thioamide prostaglandin analogs | E. R. SQUIBB & SONS, INC. (US) | 1987-03-31 | — | — | US | disclosed |
| EP-0004711-A2 | Process for the cross-linking of polymers | Vulnax International Limited (GB) | 1979-10-17 | — | — | EP | 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-3963730-A | ACID CATALYST | SANKYO COMPANY LIMITED (JA) | 1976-06-15 | — | — | US | disclosed |
| US-3953445-A | HERBICIDES | CHEMIE LINZ AKTIENGESELLSCHAFT (OE) | 1976-04-27 | — | — | US | disclosed |