⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3439196 | 1.00 | — | — | |
| Pentachlorophenol SCHEMBL10921533 | 0.83 | GPR35 (0.37) | — | |
| SCHEMBL8121882 | 0.83 | — | — | |
| SCHEMBL12743046 | 0.83 | — | — | |
| SCHEMBL8121880 | 0.83 | — | — | |
| SCHEMBL24461710 | 0.82 | ALDH1A1 (0.44) | — | |
| SCHEMBL30558699 | 0.81 | — | — | |
| SCHEMBL29194429 | 0.81 | NPSR1 (0.43) | — | |
| SCHEMBL29832048 | 0.81 | NPSR1 (0.43) | — | |
| SCHEMBL27499186 | 0.81 | NPSR1 (0.43) | — |
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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240262842-A1 | SMALL MOLECULE INHIBITORS OF KRAS G12C MUTANT | MERCK SHARP & DOHME LLC | 2024-08-08 | — | — | US | disclosed |
| EP-4329749-A1 | SMALL MOLECULE INHIBITORS OF KRAS G12C MUTANT | Merck Sharp & Dohme LLC (US) | 2024-03-06 | — | — | EP | disclosed |
| WO-2022232318-A1 | SMALL MOLECULE INHIBITORS OF KRAS G12C MUTANT | MERCK SHARP & DOHME CORP. (US) | 2022-11-03 | — | — | WO | disclosed |
| US-8629126-B2 | Quinolone derivative or pharmaceutically acceptable salt thereof | ASTELLAS PHARMA INC. (JP) | 2014-01-14 | — | — | US | disclosed |
| US-8629126-B2 | Quinolone derivative or pharmaceutically acceptable salt thereof | ASTELLAS PHARMA INC. (JP) | 2014-01-14 | — | — | US | disclosed |
| US-20120136025-A1 | QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF | ASTELLAS PHARMA INC. (JP) | 2012-05-31 | — | — | US | disclosed |
| US-20120136025-A1 | QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF | ASTELLAS PHARMA INC. (JP) | 2012-05-31 | — | — | US | disclosed |
| US-8133882-B2 | Quinolone derivative or pharmaceutically acceptable salt thereof | ASTELLAS PHARMA INC (JP) | 2012-03-13 | — | — | US | disclosed |
| US-8133882-B2 | Quinolone derivative or pharmaceutically acceptable salt thereof | ASTELLAS PHARMA INC (JP) | 2012-03-13 | — | — | US | disclosed |
| EP-1995240-B1 | QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF | ASTELLAS PHARMA INC (JP) | 2012-02-22 | — | — | EP | disclosed |
| US-20020156053-A1 | New aminopropylphosphinic acids | GENERAL ELECTRIC CAPITAL CORPORATION, AS AGENT | 2002-10-24 | — | — | US | disclosed |
| EP-1239843-A1 | NEW (AMINOPROPYL)METHYLPHOSPHINIC ACIDS | AstraZeneca AB (SE) | 2002-09-18 | — | — | EP | disclosed |
| WO-2001041743-A1 | NEW (AMINOPROPYL)METHYLPHOSPHINIC ACIDS | ASTRAZENECA AB (SE) | 2001-06-14 | — | — | WO | disclosed |
| US-5459149-A | Penta-2,4-dienamides and use as pesticides | ROUSSEL UCLAF (FR) | 1995-10-17 | — | — | US | disclosed |
| US-5270343-A | Penta-2,4-dienamides and use as pesticides | ROUSSEL UCLAF (FR) | 1993-12-14 | — | — | US | disclosed |
| CN-1073674-A | Sterilant | ROUSSEL UCLAF (FR) | 1993-06-30 | — | — | CN | disclosed |
| EP-0202500-B1 | NOVEL CARBOXYLIC ACID ESTERS, METHODS FOR PRODUCTION THEREOF AND INSECTICIDES CONTAINING THEM AS THE ACTIVE INGREDIENT | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1989-02-22 | — | — | EP | disclosed |
| US-4774369-A | ALCOHOLS AS INTERMEDIATES FOR INSECTICIDES | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1988-09-27 | — | — | US | disclosed |
| US-4714712-A | Carboxylic acid esters and insecticides containing them as the active ingredient | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1987-12-22 | — | — | US | disclosed |
| EP-0202500-A1 | Novel carboxylic acid esters, methods for production thereof and insecticides containing them as the active ingredient | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1986-11-26 | — | — | EP | disclosed |