⚠ 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 | |
|---|---|---|---|---|
| Parachlorophenol SCHEMBL6119005 | 0.96 | MAPK1 (0.65) | — | |
| Parachlorophenol SCHEMBL30086664 | 0.96 | — | — | |
| Parachlorophenol SCHEMBL7730292 | 0.96 | MAPK1 (0.65) | — | |
| Parachlorophenol SCHEMBL28864 | 0.96 | — | — | |
| Parachlorophenol SCHEMBL11168541 | 0.93 | — | — | |
| Parachlorophenol SCHEMBL11578281 | 0.93 | — | — | |
| Parachlorophenol SCHEMBL11482433 | 0.93 | MAPK1 (0.62) | — | |
| Parachlorophenol SCHEMBL22437500 | 0.93 | — | — | |
| Parachlorophenol SCHEMBL10549360 | 0.93 | — | — | |
| Parachlorophenol SCHEMBL6012166 | 0.93 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103725030-A | Preparation method of vat brilliant orange GR | XUZHOU GERUI PIGMENT CO LTD | 2014-04-16 | — | — | CN | claimed |
| CN-103910695-B | A kind of synthetic method of Febuxostat | CHONGQING KERUI PHARMACEUTICAL (GROUP) CO., LTD. (CN) | 2015-08-26 | — | — | CN | disclosed |
| CN-103725030-A | Preparation method of vat brilliant orange GR | XUZHOU GERUI PIGMENT CO LTD | 2014-04-16 | — | — | CN | disclosed |
| US-7964534-B2 | Nuclear magnetic resonance assembly of chemical entities using advanced antenna probes | TRIAD LIQUIDATING COMPANY, LLC (US) | 2011-06-21 | — | — | US | disclosed |
| US-20110118148-A1 | NUCLEAR MAGNETIC RESONANCE ASSEMBLY OF CHEMICAL ENTITIES USING ADVANCED ANTENNA PROBES | TRIAD LIQUIDATING COMPANY, LLC | 2011-05-19 | — | — | US | disclosed |
| EP-1611425-A2 | NUCLEAR MAGNETIC RESONANCE ASSEMBLY OF CHEMICAL ENTITIES USING ADVANCED ANTENNA PROBES | Triad Therapeutics, Inc. (US) | 2006-01-04 | — | — | EP | disclosed |
| WO-2004083814-A2 | NUCLEAR MAGNETIC RESONANCE ASSEMBLY OF CHEMICAL ENTITIES USING ADVANCED ANTENNA PROBES | TRIAD THERAPEUTICS, INC. (US) | 2004-09-30 | — | — | WO | disclosed |