⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3605674 | 1.00 | — | — | |
| SCHEMBL10254227 | 1.00 | — | — | |
| SCHEMBL15286940 | 0.73 | TSHR (0.32) | — | |
| SCHEMBL10637266 | 0.73 | TSHR (0.33) | — | |
| SCHEMBL10637272 | 0.73 | TSHR (0.33) | — | |
| SCHEMBL11479204 | 0.73 | CYP2C9 (0.44) | — | |
| SCHEMBL10876576 | 0.73 | TSHR (0.33) | — | |
| SCHEMBL11479210 | 0.73 | CYP2C9 (0.44) | — | |
| SCHEMBL6413319 | 0.71 | — | — | |
| SCHEMBL6413318 | 0.71 | — | — |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100063066-A1 | RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF | ARRAY BIOPHARMA, INC. (US) | 2010-03-11 | — | — | US | disclosed |
| US-20100063066-A1 | RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF | ARRAY BIOPHARMA, INC. (US) | 2010-03-11 | — | — | US | disclosed |
| US-20100063066-A1 | RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF | ARRAY BIOPHARMA, INC. (US) | 2010-03-11 | — | — | US | disclosed |
| EP-2057168-A2 | RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF | Array Biopharma, Inc. (US) | 2009-05-13 | — | — | EP | disclosed |
| WO-2008028141-A2 | RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF | ARRAY BIOPHARMA INC. (US) | 2008-03-06 | — | — | WO | disclosed |
| US-5977110-A | Substituted cyclohexylamines as central nervous systems agents | WARNER-LAMBERT COMPANY (US) | 1999-11-02 | — | — | US | disclosed |
| WO-1997011070-A1 | SUBSTITUTED CYCLOHEXYLAMINES AS CENTRAL NERVOUS SYSTEM AGENTS | WARNER-LAMBERT COMPANY (US) | 1997-03-27 | — | — | WO | disclosed |
| US-4535091-A | MITICIDES, NEMATOCIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1985-08-13 | — | — | US | disclosed |
| US-4423058-A | INSECTICIDES, NEMATOCIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1983-12-27 | — | — | US | disclosed |
| US-4382947-A | INSECTICIDES, MITICIDES, NEMATOCIDES, PARACITICIDES; VETERINARY MEDICINE; AGRICULTURE | BAYER AKTIENGESELLSCHAFT (DE) | 1983-05-10 | — | — | US | disclosed |
| EP-0023326-B1 | N-METHYL-0-PYRAZOL(4)YL-CARBAMIC ACID ESTERS, PROCESS FOR THEIR SYNTHESIS AND THEIR USE AS PESTICIDES | BAYER AG (DE) | 1982-05-26 | — | — | EP | disclosed |
| US-4325948-A | Combating pests with 2-cycloalkyl-pyrimidin-5-yl-(thiono) (thiol)-phosphoric (phosphonic) acid esters and ester-amides | BAYER AKTIENGESELLSCHAFT (DE) | 1982-04-20 | — | — | US | disclosed |
| US-4315008-A | Combating pests with O-ethyl-S-n-propyl-O-(1-substituted-pyrazol-4-yl)-(thiono)-thiolphosphoric acid esters | BAYER AKTIENGESELLSCHAFT (DE) | 1982-02-09 | — | — | US | disclosed |
| EP-0009566-B1 | 2-CYCLOALKYL-PYRIMIDIN(5)YL-(THIONO)(THIOL)-PHOSPHORIC (PHOSPHONIC)-ACID ESTER OR -ESTERAMIDES, PROCESS FOR THEIR PREPARATION AND USE AS INSECTICIDES, ACARICIDES AND NEMATICIDES | BAYER AG (DE) | 1981-09-09 | — | — | EP | disclosed |
| EP-0012344-B1 | O-PYRAZOL-4-YL-O-ETHYL-S-N-PROPYL-(THIONO)THIOL-PHOSPHORIC-ACID ESTERS, PROCESS FOR PREPARING THEM AND THEIR USE AS PESTICIDES | BAYER AG (DE) | 1981-08-12 | — | — | EP | disclosed |
| US-4239760-A | Combating fungi and bacteria with 3-azolyl-benzo-1,2,4-triazines and 1-oxides thereof | BAYER AKTIENGESELLSCHAFT (DE) | 1980-12-16 | — | — | US | disclosed |
| EP-0009566-A2 | 2-Cycloalkyl-pyrimidin(5)yl-(thiono)(thiol)-phosphoric (phosphonic)-acid ester or -esteramides, process for their preparation and use as insecticides, acaricides and nematicides | BAYER AG (DE) | 1980-04-16 | — | — | EP | disclosed |