⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13852506 | 1.00 | — | — | |
| Diethanolamine SCHEMBL5843119 | 0.76 | — | — | |
| Diethanolamine SCHEMBL5307430 | 0.76 | TSHR (0.36) | — | |
| Diethanolamine SCHEMBL8930798 | 0.76 | TSHR (0.36) | — | |
| Diethanolamine SCHEMBL2324 | 0.76 | — | — | |
| Diethanolamine SCHEMBL23363665 | 0.76 | TSHR (0.36) | — | |
| SCHEMBL13852503 | 0.76 | — | — | |
| SCHEMBL3958001 | 0.76 | — | — | |
| Diethanolamine SCHEMBL7894736 | 0.72 | — | — | |
| Diethanolamine SCHEMBL9448596 | 0.72 | — | — |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2015157239-A1 | FUNCTIONALIZED AND MULTIVARIATE BTB-BASED METAL ORGANIC FRAMEWORKS | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2015-10-15 | — | — | WO | disclosed |
| US-8551445-B2 | Preparation and use of alkylating agents | THE QUEEN'S MEDICAL CENTER (US) | 2013-10-08 | — | — | US | disclosed |
| US-8554373-B2 | Preparation and use of alkylating agents | THE QUEEN'S MEDICAL CENTER (US) | 2013-10-08 | — | — | US | disclosed |
| US-20110028725-A1 | Preparation and Use of Alkylating Agents | THE QUEEN'S MEDICAL CENTER (US) | 2011-02-03 | — | — | US | disclosed |
| US-7776309-B2 | Preparation and use of alkylating agents | THE QUEEN'S MEDICAL CENTER (US) | 2010-08-17 | — | — | US | disclosed |
| US-20090130020-A1 | DIAGNOSTIC AGENTS FOR POSITRON EMISSION IMAGING USING F-18 RADIO-LABELED AMINO-ALCOHOLS | BAYER SCHERING PHARMA AG (DE) | 2009-05-21 | — | — | US | disclosed |
| US-20090130020-A1 | DIAGNOSTIC AGENTS FOR POSITRON EMISSION IMAGING USING F-18 RADIO-LABELED AMINO-ALCOHOLS | BAYER SCHERING PHARMA AG (DE) | 2009-05-21 | — | — | US | disclosed |
| WO-2009033584-A2 | DIAGNOSTIC AGENTS FOR POSITRON EMISSION IMAGING USING F-18 RADIO-LABELED AMINO-ALCOHOLS | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2009-03-19 | — | — | WO | disclosed |
| EP-2036578-A1 | Diagnostic agents for positron emission imaging using F-18 radio labeled amino-alcohols | Bayer Schering Pharma Aktiengesellschaft (DE) | 2009-03-18 | — | — | EP | disclosed |
| US-20080294289-A1 | Preparation and Use of Alkylating Agents | THE QUEEN'S MEDICAL CENTER (US) | 2008-11-27 | — | — | US | disclosed |
| EP-1660433-A2 | PREPARATION AND USE OF ALKYLATING AGENTS | The Queen's Medical Center (US) | 2006-05-31 | — | — | EP | disclosed |
| US-20050123475-A1 | Preparation and use of alkylating agents | THE QUEEN'S MEDICAL CENTER | 2005-06-09 | — | — | US | disclosed |
| WO-2005009928-A2 | PREPARATION AND USE OF ALKYLATING AGENTS | THE QUEEN'S MEDICAL CENTER (US) | 2005-02-03 | — | — | WO | disclosed |
| WO-1995021848-A1 | SPHINGOID BASES AND METHODS FOR THEIR PREPARATION AND USE | THE UNITED STATES OF AMERICA, REPRESENTED BY THE (US) | 1995-08-17 | — | — | WO | disclosed |
| US-5430169-A | Method for preparation of sphingoid bases | THE UNITED STATES OF AMERICA REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 1995-07-04 | — | — | US | disclosed |