⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28881848 | 1.00 | ESR2 (0.37) | — | |
| SCHEMBL6909611 | 1.00 | ESR2 (0.37) | — | |
| SCHEMBL933703 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL7026873 | 0.93 | — | — | |
| SCHEMBL126292 | 0.90 | — | — | |
| SCHEMBL128734 | 0.82 | — | — | |
| SCHEMBL14128934 | 0.82 | ESR2 (0.41) | — | |
| Ethylene Glycol SCHEMBL8325727 | 0.76 | ESR2 (0.38) | — | |
| SCHEMBL595778 | 0.76 | CYP2C19 (0.37) | — | |
| SCHEMBL5505085 | 0.76 | CYP2C19 (0.37) | — |
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 350 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9573872-B2 | Using mixtures of E/Z isomers to obtain quantitatively specific products by combining asymmetric hydrogenation and isomerization | DSM IP ASSETS B.V. (NL) | 2017-02-21 | — | — | US | claimed |
| EP-2069327-B1 | NEW PYRIDONE DERIVATIVES WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS | BOEHRINGER INGELHEIM INT (DE) | 2013-10-16 | — | — | EP | claimed |
| EP-2608669-A1 | NOVEL PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2013-07-03 | — | — | EP | claimed |
| WO-2012027236-A1 | NOVEL PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS | SCHERING CORPORATION (US) | 2012-03-01 | — | — | WO | claimed |
| WO-2012027239-A1 | NOVEL PYRAZOLO[1,5-a]PYRROLO[3,2-e]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS | SCHERING CORPORATION (US) | 2012-03-01 | — | — | WO | claimed |
| JP-4607319-B2 | — | — | 2011-01-05 | — | — | JP | claimed |
| US-7211414-B2 | Enzymatic nucleic acid synthesis: compositions and methods for altering monomer incorporation fidelity | VISIGEN BIOTECHNOLOGIES, INC. (US) | 2007-05-01 | — | — | US | claimed |
| US-6686331-B2 | PRINCIPAL SOLVENTS, ESPECIALLY MONO AND DIOL PRINCIPAL SOLVENTS, HAVING A SPECIFIED CLOGP VALUE, SPECIFIED TYPES OF SOFTENERS SUCH AS VARISOFT?, WATER AND OPTIONAL ADDITIVES; PREMIX | THE PROCTER & GAMBLE COMPANY | 2004-02-03 | — | — | US | claimed |
| US-20030153483-A1 | Concentrated, stable fabric softening composition | TRINH TOAN (US) | 2003-08-14 | — | — | US | claimed |
| CN-1110541-C | Concentrated water-dispersible stable fiber softener compositions | PROCTER & GAMBLE (US) | 2003-06-04 | — | — | CN | claimed |
| CN-1195369-A | Concentrated and stable fabric softening compositions | PROCTER & GAMBLE (US) | 1998-10-07 | — | — | CN | claimed |
| EP-0842250-A1 | CONCENTRATED, STABLE FABRIC SOFTENING COMPOSITION | THE PROCTER & GAMBLE COMPANY (US) | 1998-05-20 | — | — | EP | claimed |
| EP-0839179-A1 | CONCENTRATED, WATER DISPERSIBLE, STABLE, FABRIC SOFTENING COMPOSITIONS | THE PROCTER & GAMBLE COMPANY (US) | 1998-05-06 | — | — | EP | claimed |
| US-5747443-A | BIODEGRADABLE QUATERNARY AMMONIUM COMPOUNDS | THE PROCTER & GAMBLE COMPANY (US) | 1998-05-05 | — | — | US | claimed |
| WO-1998017756-A1 | CONCENTRATED FABRIC SOFTENING COMPOSITION | THE PROCTER & GAMBLE COMPANY (US) | 1998-04-30 | — | — | WO | claimed |
| WO-1997034972-A1 | FABRIC SOFTENING COMPOUND/COMPOSITION | THE PROCTER & GAMBLE COMPANY (US) | 1997-09-25 | — | — | WO | claimed |
| WO-1997003170-A1 | CONCENTRATED, WATER DISPERSIBLE, STABLE, FABRIC SOFTENING COMPOSITIONS | THE PROCTER & GAMBLE COMPANY (US) | 1997-01-30 | — | — | WO | claimed |
| WO-1997003169-A1 | CONCENTRATED, STABLE FABRIC SOFTENING COMPOSITION | THE PROCTER & GAMBLE COMPANY (US) | 1997-01-30 | — | — | WO | claimed |
| EP-0255989-B1 | NEGATIVE PHOTORESIST ON THE BASIS OF POLYPHENOLS AND EPOXIDE COMPOUNDS OR VINYL ETHERS | CIBA-GEIGY AG (CH) | 1990-11-22 | — | — | EP | claimed |
| US-4876398-A | ALKYLATION CATALYSTS CONTAINING MAGNESIUM AND MANGANESE OXIDE | CHINA PETROCHEMICAL DEVELOPMENT CORPORATION (TW) | 1989-10-24 | — | — | US | claimed |