⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31356399 | 0.73 | — | — | |
| SCHEMBL4073685 | 0.71 | — | — | |
| SCHEMBL27660936 | 0.69 | — | — | |
| SCHEMBL28613075 | 0.69 | SMN1; SMN2 (0.32) | — | |
| Water SCHEMBL8221741 | 0.69 | — | — | |
| SCHEMBL5672376 | 0.69 | — | — | |
| Water SCHEMBL27524007 | 0.69 | — | — | |
| Hydrogen Sulfide SCHEMBL27522910 | 0.69 | — | — | |
| SCHEMBL28108228 | 0.65 | — | — | |
| SCHEMBL28673682 | 0.63 | TSHR (0.32) | — |
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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20150302140-A1 | IN SILICO IDENTIFICATION OF CANCER MOLECULAR SIGNALING PATHWAYS AND DRUG CANDIDATES | H. LEE MOFFIT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) | 2015-10-22 | — | — | US | disclosed |
| WO-2014071316-A1 | IN SILICO IDENTIFICATION OF CANCER MOLECULAR SIGNALING PATHWAYS AND DRUG CANDIDATES | H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) | 2014-05-08 | — | — | WO | disclosed |
| WO-2012003441-A1 | SELF-EMULSIFYING OIL | ISP INVESTMENTS INC. (US) | 2012-01-05 | — | — | WO | disclosed |
| EP-0668757-B1 | COMPOSITIONS OF INSOLUBLE FILM-FORMING POLYMERS AND USES THEREFOR | ISP INVESTMENTS INC (US) | 2003-12-10 | — | — | EP | disclosed |
| EP-0574492-B1 | STABILIZATION OF MICROEMULSIONS USING HYDROPHOBIC ACID BUFFERS | ISP INVESTMENTS INC (US) | 1999-05-12 | — | — | EP | disclosed |
| EP-0668757-A4 | COMPOSITIONS OF INSOLUBLE FILM-FORMING POLYMERS AND USES THEREFOR. | ISP INVESTMENTS INC (US) | 1998-10-07 | — | — | EP | disclosed |
| US-5766615-A | MIXTURE CONTAINING LONG-CHAIN ALKYLPYRROLIDONE, ANIONIC SURFACTANT, GRAFT POLYMER OF N-VINYLPYRROLIDONE AND AN ALPHA-OLEFIN AND AN AGRICULTURALLY ACTIVE COMPOUND | ISP INVESTMENTS INC. (US) | 1998-06-16 | — | — | US | disclosed |
| WO-1998006780-A1 | STABILIZER ADDITIVE FOR AGCHEMICAL TANK MIX | ISP INVESTMENTS INC. (US) | 1998-02-19 | — | — | WO | disclosed |
| EP-0701398-A4 | INERT MATRIX COMPOSITION, PREPARATION THEREOF AND MICROEMULSIFIABLE CONCENTRATE | ISP INVESTMENTS INC (US) | 1998-01-07 | — | — | EP | disclosed |
| WO-1997022247-A1 | STABILIZED AGCHEMICAL CONCENTRATE AND USE THEREOF | ISP INVESTMENTS INC. (US) | 1997-06-26 | — | — | WO | disclosed |
| WO-1993000809-A1 | DELIVERY SYSTEM FOR AGRICULTURAL CHEMICALS | ISP INVESTMENTS INC. (US) | 1993-01-21 | — | — | WO | disclosed |
| US-5176736-A | Emulsifiable herbicide concentrate | ISP INVESTMENTS INC. (US) | 1993-01-05 | — | — | US | disclosed |
| EP-0202169-B1 | NEW PYRAZOLE DERIVATIVES, THEIR PRODUCTION AND USES | HOKKO CHEMICAL INDUSTRY CO., LTD (JP) | 1992-11-19 | — | — | EP | disclosed |
| US-5160528-A | Stable emulsifiable herbicide concentrates | ISP INVESTMENTS INC. (US) | 1992-11-03 | — | — | US | disclosed |
| EP-0505378-A1 | DELIVERY SYSTEM FOR AGRICULTURAL CHEMICALS | ISP INVESTMENTS INC. (US) | 1992-09-30 | — | — | EP | disclosed |
| WO-1992013454-A1 | STABILIZATION OF MICROEMULSIONS USING HYDROPHOBIC ACID BUFFERS | ISP INVESTMENTS INC. (US) | 1992-08-20 | — | — | WO | disclosed |
| US-5071463-A | Stable, emulsifiable concentrate of an herbicide and pyrrolido ne derivative; dispersibility | ISP INVESTMENTS INC. (US) | 1991-12-10 | — | — | US | disclosed |
| WO-1991008665-A1 | DELIVERY SYSTEM FOR AGRICULTURAL CHEMICALS | ISP INVESTMENTS INC. (US) | 1991-06-27 | — | — | WO | disclosed |
| US-4752326-A | 1-arylpyrazoles, composition containing them, and herbicidal method of using them | HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) | 1988-06-21 | — | — | US | disclosed |
| US-4033750-A | Herbicidal composition | NIPPON SODA COMPANY LIMITED (JA) | 1977-07-05 | — | — | US | disclosed |