⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6760286 | 0.85 | ALDH1A1 (0.32) | — | |
| SCHEMBL8931332 | 0.83 | — | — | |
| SCHEMBL50414 | 0.80 | — | — | |
| SCHEMBL8526613 | 0.80 | RNPEP (0.40) | — | |
| SCHEMBL936160 | 0.78 | — | — | |
| SCHEMBL4971280 | 0.78 | — | — | |
| SCHEMBL4968921 | 0.78 | — | — | |
| SCHEMBL25656353 | 0.78 | — | — | |
| SCHEMBL4968926 | 0.78 | — | — | |
| SCHEMBL11465685 | 0.74 | ALDH1A1 (0.30) | — |
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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0952140-B1 | 2-Hydroxy-5-methyl-hexan-3-one and 3-hydroxy-5-methyl-hexan-2-one | GIVAUDAN SA (CH) | 2004-04-28 | — | — | EP | claimed |
| US-6426108-B1 | CHLORINATION KETONE USING SULFURYL CHLORIDE; ESTERIFICATION; HYDROLYSIS | GIVAUDAN SA (CH) | 2002-07-30 | — | — | US | claimed |
| EP-0952140-A1 | Hydroxy-methyl-hexanones | Givaudan Roure (International) S.A. (CH) | 1999-10-27 | — | — | EP | claimed |
| EP-3215505-B1 | PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE | Bayer Pharma AG (DE) | 2019-07-24 | — | — | EP | disclosed |
| US-10118930-B2 | Piperidinylpyrazolopyrimidinones and their use | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2018-11-06 | — | — | US | disclosed |
| US-20170334917-A1 | PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2017-11-23 | — | — | US | disclosed |
| EP-3215505-A1 | PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE | Bayer Pharma Aktiengesellschaft (DE) | 2017-09-13 | — | — | EP | disclosed |
| WO-2016071216-A1 | PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2016-05-12 | — | — | WO | disclosed |
| US-9169282-B2 | Metal complexes | MERCK PATENT GMBH (DE) | 2015-10-27 | — | — | US | disclosed |
| US-9169282-B2 | Metal complexes | MERCK PATENT GMBH (DE) | 2015-10-27 | — | — | US | disclosed |
| US-8987256-B2 | Oxo-heterocyclic substituted carboxylic acid derivatives and the use thereof | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2015-03-24 | — | — | US | disclosed |
| WO-2010086089-A1 | METAL COMPLEXES | MERCK PATENT GMBH (DE) | 2010-08-05 | — | — | WO | disclosed |
| WO-2009127338-A1 | OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATES AND THE USE THEREOF | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2009-10-22 | — | — | WO | disclosed |
| EP-0952140-B1 | 2-Hydroxy-5-methyl-hexan-3-one and 3-hydroxy-5-methyl-hexan-2-one | GIVAUDAN SA (CH) | 2004-04-28 | — | — | EP | disclosed |
| US-6426108-B1 | CHLORINATION KETONE USING SULFURYL CHLORIDE; ESTERIFICATION; HYDROLYSIS | GIVAUDAN SA (CH) | 2002-07-30 | — | — | US | disclosed |
| US-6123974-A | 2-HYDROXY-5-METHYL-HEXAN-3-ONE AND MIXTURES WITH 3-HYDROXY-5-METHYL-HEXAN-2-ONE; USE AS FLAVORING AND MASKING AGENTS SUCH AS FOR SOYBEAN-BASED FOOD AND BEVERAGES | GIVAUDAN ROURE (INTERNATIONAL) SA (CH) | 2000-09-26 | — | — | US | disclosed |
| JP-2000053607-A | HYDROXY-METHYL-HEXANONE | GIVAUDAN ROURE INTERNATL SA | 2000-02-22 | — | — | JP | disclosed |
| CN-1235150-A | Hydroxy-methyl-hexanones | GIVAUDAN ROURE INT (CH) | 1999-11-17 | — | — | CN | disclosed |
| EP-0952140-A1 | Hydroxy-methyl-hexanones | Givaudan Roure (International) S.A. (CH) | 1999-10-27 | — | — | EP | disclosed |
| US-4240983-A | HALOGENATION | BAYER AKTIENGESELLSCHAFT (DE) | 1980-12-23 | — | — | US | disclosed |