⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9118161 | 1.00 | ALDH1A1 (0.44) | — | |
| SCHEMBL22268956 | 1.00 | ALDH1A1 (0.44) | — | |
| SCHEMBL5456666 | 1.00 | — | — | |
| SCHEMBL709531 | 0.97 | — | — | |
| SCHEMBL353835 | 0.87 | — | — | |
| SCHEMBL18467800 | 0.84 | MEN1 (0.38) | — | |
| SCHEMBL2515564 | 0.83 | ALDH1A1 (0.55) | — | |
| SCHEMBL17167087 | 0.83 | ALDH1A1 (0.55) | — | |
| SCHEMBL2513750 | 0.83 | ALDH1A1 (0.55) | — | |
| SCHEMBL345679 | 0.83 | ALDH1A1 (0.55) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3129392-B1 | TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY, SUBSTITUTED IN POSITION 3 BY A NON-AROMATIC RING CARRYING A HALOALKYL SUBSTITUENT | VIIV HEALTHCARE UK NO 4 LTD (GB) | 2020-08-05 | — | — | EP | disclosed |
| US-8999196-B2 | Liquid crystal compound having perfluoroalkyl chain, and liquid crystal composition and liquid crystal display device | JNC CORPORATION (JP) | 2015-04-07 | — | — | US | disclosed |
| US-20130048913-A1 | LIQUID CRYSTAL COMPOUND HAVING PERFLUOROALKYL CHAIN, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE | JNC PETROCHEMICAL CORPORATION (JP) | 2013-02-28 | — | — | US | disclosed |
| EP-1392779-A1 | FLUORINATED-PHOTOINITIATORS IN DUAL CURE RESINS | Ciba SC Holding AG (CH) | 2004-03-03 | — | — | EP | disclosed |
| WO-2002040602-A1 | FLUORINATED-PHOTOINITIATORS IN DUAL CURE RESINS | CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) | 2002-05-23 | — | — | WO | disclosed |
| EP-0504812-B1 | Aromatic compounds, their production processes and their compositions for the control of insect pests | SUMITOMO CHEMICAL CO (JP) | 1995-09-06 | — | — | EP | disclosed |
| US-5302619-A | Aromatic compounds, their production processes and their compositions for the control of insect pests | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1994-04-12 | — | — | US | disclosed |
| US-5262441-A | APPLYING INSECTICIDE TO INSECT OR LOCUS WHERE INSECT PROPAGATES | SUMITOMO CHEMICAL COMPANY LIMITED (JP) | 1993-11-16 | — | — | US | disclosed |
| EP-0504812-A2 | Aromatic compounds, their production processes and their compositions for the control of insect pests | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1992-09-23 | — | — | EP | disclosed |