⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6353087 | 0.78 | — | — | |
| SCHEMBL8616680 | 0.64 | CYP1A2 (0.30) | — | |
| SCHEMBL11841010 | 0.63 | — | — | |
| SCHEMBL11411161 | 0.63 | — | — | |
| SCHEMBL12127085 | 0.63 | — | — | |
| SCHEMBL11464468 | 0.61 | CYP1A2 (0.44) | — | |
| SCHEMBL11690393 | 0.59 | — | — | |
| SCHEMBL13615374 | 0.59 | — | — | |
| SCHEMBL14270609 | 0.58 | — | — | |
| SCHEMBL14159405 | 0.57 | — | — |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050026998-A1 | Compounds for the controlled release of active aldehydes | FIRMENICH SA (CH) | 2005-02-03 | — | — | US | claimed |
| EP-1487815-A1 | COMPOUNDS FOR THE CONTROLLED RELEASE OF ACTIVE ALDEHYDES | FIRMENICH SA (CH) | 2004-12-22 | — | — | EP | claimed |
| WO-2003082850-A1 | COMPOUNDS FOR THE CONTROLLED RELEASE OF ACTIVE ALDEHYDES | FIRMENICH SA (CH) | 2003-10-09 | — | — | WO | claimed |
| WO-1998024752-A1 | PROCESS FOR PREPARING 2,2,4-TRIMETHYL-1,3-PENTANEDIOL ISOBUTYRATE | NESTE OY (FI) | 1998-06-11 | — | — | WO | claimed |
| JP-55002608-A | — | — | None | — | — | JP | disclosed |
| CN-1260204-C | Preparation process of 2,2,4-trimethyl-1,3-pentanediol mono-sio butyrate | QILU PETROCHEMICAL CORP SINOPE (CN) | 2006-06-21 | — | — | CN | disclosed |
| US-20050026998-A1 | Compounds for the controlled release of active aldehydes | FIRMENICH SA (CH) | 2005-02-03 | — | — | US | disclosed |
| EP-1487815-A1 | COMPOUNDS FOR THE CONTROLLED RELEASE OF ACTIVE ALDEHYDES | FIRMENICH SA (CH) | 2004-12-22 | — | — | EP | disclosed |
| WO-2003082850-A1 | COMPOUNDS FOR THE CONTROLLED RELEASE OF ACTIVE ALDEHYDES | FIRMENICH SA (CH) | 2003-10-09 | — | — | WO | disclosed |
| CN-1429809-A | Preparation process of 2,2,4-trimethyl-1,3-pentanediol mono-sio butyrate | QILU PETROCHEMICAL CORP SINOPE (CN) | 2003-07-16 | — | — | CN | disclosed |
| US-6193872-B1 | TREATING AQUEOUS WASTE STREAM FROM CHEMICAL PRODUCTION PLANT WHICH STREAM CONTAINS AT LEAST ONE ALKALI METAL CARBOXYLATE CONTAINING AT LEAST 3 CARBON ATOMS TO PRODUCE SOLUTION OF ALKALI METAL HYDROXIDE FOR RECYCLE TO PRODUCTION PLANT | KVAERNER PROCESS TECHNOLOGY LIMITED (GB) | 2001-02-27 | — | — | US | disclosed |
| US-5841002-A | CATALYTIC ALDOL CONDENSATION OF ALDEHYDES AND HYDROGENATIONTO FORM DIOLS | DAVY PROCESS TECHNOLOGY LIMITED (GB) | 1998-11-24 | — | — | US | disclosed |
| WO-1998024752-A1 | PROCESS FOR PREPARING 2,2,4-TRIMETHYL-1,3-PENTANEDIOL ISOBUTYRATE | NESTE OY (FI) | 1998-06-11 | — | — | WO | disclosed |
| EP-0186076-B1 | PROCESS FOR THE PREPARATION OF 2,2,4-TRIMETHYL-1,3-PENTANEDIOL MONOISOBUTYRATE | HOECHST AKTIENGESELLSCHAFT (DE) | 1990-09-26 | — | — | EP | disclosed |
| EP-0186076-A2 | Process for the preparation of 2,2,4-trimethyl-1,3-pentanediol monoisobutyrate | HOECHST AKTIENGESELLSCHAFT (DE) | 1986-07-02 | — | — | EP | disclosed |
| US-4414419-A | WITH TRIETHANOLAMINE OR DIMETHYLETHANOLAMINE, POLYMERIZATION INHIBITION | RUHRCHEMIE AKTIENGESELLSCHAFT (DE) | 1983-11-08 | — | — | US | disclosed |
| JP-S552608-A | PREPARATION OF UNSATURATED ALCOHOL ESTER | CHISSO CORP | 1980-01-10 | — | — | JP | disclosed |