⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5231042 | 1.00 | — | — | |
| SCHEMBL3241699 | 1.00 | — | — | |
| SCHEMBL21827626 | 0.76 | — | — | |
| SCHEMBL20494381 | 0.76 | — | — | |
| SCHEMBL181060 | 0.76 | — | — | |
| SCHEMBL5827395 | 0.72 | — | — | |
| SCHEMBL1144298 | 0.72 | — | — | |
| SCHEMBL61473 | 0.72 | — | — | |
| SCHEMBL4076041 | 0.70 | SLC18A3 (0.32) | — | |
| SCHEMBL21722696 | 0.69 | — | — |
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 91 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110168038-B | Methyl menthol derivative and cold sensate composition containing same | 高砂香料工业株式会社 | 2022-05-27 | — | — | CN | claimed |
| CN-109803948-B | Warming sensation compound | 高砂香料工业株式会社 | 2022-03-01 | — | — | CN | claimed |
| EP-3347348-B1 | PREPARATION OF 3-HYDROXY-3,6-DIMETHYLHEXAHYDROBENZOFURAN-2-ONE AND DERIVATIVES THEREOF | P2 SCIENCE INC (US) | 2021-11-17 | — | — | EP | claimed |
| CN-111212884-A | Cold-sensitive composition containing 2,2, 6-trimethylcyclohexanecarboxylic acid derivative | 高砂香料工业株式会社 | 2020-05-29 | — | — | CN | claimed |
| CN-107532063-B | Methylmenthol derivative and cold-sensitive composition containing the same | 高砂香料工业株式会社 | 2020-03-10 | — | — | CN | claimed |
| CN-109803948-A | Warming sensation compound | 高砂香料工业株式会社 | 2019-05-24 | — | — | CN | claimed |
| WO-2019078185-A1 | COOL-SENSATION IMPARTER COMPOSITION CONTAINING 2,2,6-TRIMETHYLCYCLOHEXANECARBOXYLIC ACID DERIVATIVE | 高砂香料工業株式会社 | 2019-04-25 | — | — | WO | claimed |
| US-8829030-B2 | Compounds and methods for the treatment or prevention of Flavivirus infections | VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) | 2014-09-09 | — | — | US | claimed |
| US-20130096106-A1 | COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS | VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) | 2013-04-18 | — | — | US | claimed |
| EP-2546246-A2 | Compounds and methods for the treatment or prevention of flavivirus infections | Virochem Pharma Inc. (CA) | 2013-01-16 | — | — | EP | claimed |
| EP-1569929-B1 | COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS | VIROCHEM PHARMA INC (CA) | 2010-05-05 | — | — | EP | claimed |
| EP-1896557-B1 | FLAVOR AND FRAGRANCE COMPOSITION | TAKASAGO PERFUMERY CO LTD (JP) | 2010-05-05 | — | — | EP | claimed |
| CN-100413861-C | Compounds and methods for the treatment or prevention of flavivirus infections | VIROCHEM PHARMA INC (CA) | 2008-08-27 | — | — | CN | claimed |
| EP-1902043-A1 | VANILLIN ACETALS AND SENSORY STIMULANT COMPOSITION CONTAINING THE SAME | Takasago International Corporation (JP) | 2008-03-26 | — | — | EP | claimed |
| EP-1896557-A1 | FLAVOR AND FRAGRANCE COMPOSITION | Takasago International Corporation (JP) | 2008-03-12 | — | — | EP | claimed |
| WO-2007004740-A1 | VANILLIN ACETALS AND SENSORY STIMULANT COMPOSITION CONTAINING THE SAME | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2007-01-11 | — | — | WO | claimed |
| WO-2006137556-A1 | FLAVOR AND FRAGRANCE COMPOSITION | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2006-12-28 | — | — | WO | claimed |
| CN-1795190-A | Compounds and methods for the treatment or prevention of flavivirus infections | VIROCHEM PHARMA INC (CA) | 2006-06-28 | — | — | CN | claimed |
| US-20050009804-A1 | Compounds and methods for the treatment or prevention of Flavivirus infections | VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) | 2005-01-13 | — | — | US | claimed |
| EP-0167265-B1 | Method of repelling insects | COULSTON INT CORP (US) | 1995-12-20 | — | — | EP | claimed |