⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10063290 | 1.00 | — | — | |
| SCHEMBL1782987 | 0.77 | — | — | |
| SCHEMBL2763043 | 0.77 | TRPA1 (0.33) | — | |
| SCHEMBL823131 | 0.76 | TRPA1 (0.52) | — | |
| SCHEMBL15087807 | 0.76 | TRPA1 (0.52) | — | |
| SCHEMBL14547843 | 0.74 | — | — | |
| SCHEMBL17683677 | 0.74 | — | — | |
| SCHEMBL17865321 | 0.74 | — | — | |
| SCHEMBL9694708 | 0.74 | TRPA1 (0.50) | — | |
| SCHEMBL220029 | 0.74 | TRPA1 (0.50) | — |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0150293-B1 | SUBSTRATE FOR OPTICAL RECORDING MEDIA | SEKISUI KAGAKU KOGYO KABUSHIKI KAISHA (JP) | 1988-08-17 | — | — | EP | claimed |
| EP-0150293-A1 | Substrate for optical recording media | SEKISUI KAGAKU KOGYO KABUSHIKI KAISHA (JP) | 1985-08-07 | — | — | EP | claimed |
| JP-60177005-A | — | — | None | — | — | JP | disclosed |
| CN-112824361-B | Method for preparing p-xylene by efficiently catalyzing 4-methyl-3-cyclohexene formaldehyde conversion by nickel-iron bimetallic catalyst | 中国科学院大连化学物理研究所 | 2022-03-25 | — | — | CN | disclosed |
| CN-112824359-B | Application of noble metal supported catalyst in synthesizing paraxylene | 中国科学院大连化学物理研究所 | 2022-03-01 | — | — | CN | disclosed |
| CN-112824361-A | Method for preparing p-xylene by efficiently catalyzing 4-methyl-3-cyclohexene formaldehyde conversion by nickel-iron bimetallic catalyst | 中国科学院大连化学物理研究所 | 2021-05-21 | — | — | CN | disclosed |
| US-20190241822-A1 | COMPOSITION FOR REMOVING IRON SULFIDE | KURARAY CO., LTD. (JP) | 2019-08-08 | — | — | US | disclosed |
| EP-3486353-A1 | COMPOSITION FOR REMOVING IRON SULFIDE | Kuraray Co., Ltd. (JP) | 2019-05-22 | — | — | EP | disclosed |
| CN-105712817-A | Method for selective preparation of p-xylene and toluene from p-methylcyclohexene carboxaldehyde | 中国科学院大连化学物理研究所 | 2016-06-29 | — | — | CN | disclosed |
| CN-105712817-A | Method for selective preparation of p-xylene and toluene from p-methylcyclohexene carboxaldehyde | 中国科学院大连化学物理研究所 | 2016-06-29 | — | — | CN | disclosed |
| CN-103535678-A | Use of defined cyclohexenones as agents for the superadditive enhancement of an olfactory impression and fragrance and/or flavor material composition | SYMRISE AG | 2014-01-29 | — | — | CN | disclosed |
| US-8632792-B2 | Cooling sensation agent composition and sensory stimulation agent composition | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2014-01-21 | — | — | US | disclosed |
| US-20110117147-A1 | COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2011-05-19 | — | — | US | disclosed |
| WO-2009123355-A2 | COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2009-10-08 | — | — | WO | disclosed |
| EP-0150293-B1 | SUBSTRATE FOR OPTICAL RECORDING MEDIA | SEKISUI KAGAKU KOGYO KABUSHIKI KAISHA (JP) | 1988-08-17 | — | — | EP | disclosed |
| US-4743409-A | INJECTION MOLDING POLYVINYL ACETAL RESINS | SEKISUI KAGAKU KOGYO KABUSHIKI KAISHA (JP) | 1988-05-10 | — | — | US | disclosed |
| JP-S60177005-A | INFORMATION RECORDING MATERIAL OF OPTICAL TYPE | SEKISUI CHEM CO LTD | 1985-09-11 | — | — | JP | disclosed |
| EP-0150293-A1 | Substrate for optical recording media | SEKISUI KAGAKU KOGYO KABUSHIKI KAISHA (JP) | 1985-08-07 | — | — | EP | disclosed |