⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11031917 | 1.00 | — | — | |
| SCHEMBL422046 | 1.00 | — | — | |
| SCHEMBL28286550 | 0.84 | TGFBR1 (0.36) | — | |
| SCHEMBL28286551 | 0.83 | TGFBR1 (0.31) | — | |
| SCHEMBL12891365 | 0.76 | ALDH1A1 (0.40) | — | |
| SCHEMBL9500567 | 0.76 | TSHR (0.44) | — | |
| SCHEMBL17953984 | 0.76 | ALDH1A1 (0.40) | — | |
| SCHEMBL13410354 | 0.76 | GABRR1 (0.46) | — | |
| SCHEMBL15681461 | 0.75 | — | — | |
| Acetone SCHEMBL31146574 | 0.75 | GABRR1 (0.46) | — |
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-20150175530-A1 | ANTIBACTERIAL AGENTS | ACHAOGEN, INC. | 2015-06-25 | — | — | US | disclosed |
| US-8481546-B2 | CGRP receptor antagonist | BRISTOL-MYERS SQUIBB COMPANY (US) | 2013-07-09 | — | — | US | disclosed |
| US-8431724-B2 | Iejimalid analoga and uses thereof | STUDIENGESELLSCHAFT KOHLE MBH (DE) | 2013-04-30 | — | — | US | disclosed |
| US-20120059017-A1 | CGRP Receptor Antagonist | BRISTOL-MYERS SQUIBB COMPANY | 2012-03-08 | — | — | US | disclosed |
| US-8076285-B2 | Lysobactin amides | AICURIS GMBH & CO. KG (DE) | 2011-12-13 | — | — | US | disclosed |
| US-8067455-B2 | Amino acid derived prodrugs of propofol, compositions, uses and crystalline forms thereof | XENOPORT, INC. (US) | 2011-11-29 | — | — | US | disclosed |
| US-7919528-B2 | Antibiotic; bactericides | GLAXOSMITHKLINE LLC (US) | 2011-04-05 | — | — | US | disclosed |
| US-20100087536-A1 | AMINO ACID DERIVED PRODRUGS OF PROPOFOL, COMPOSITIONS, USES AND CRYSTALLINE FORMS THEREOF | XENOPORT, INC. (US) | 2010-04-08 | — | — | US | disclosed |
| US-7619110-B2 | Amino acid derived prodrugs of propofol, compositions, uses and crystalline forms thereof | XENOPORT, INC. (US) | 2009-11-17 | — | — | US | disclosed |
| US-20090203582-A1 | LYSOBACTIN AMIDES | BAYER HEALTHCARE AG (DE) | 2009-08-13 | — | — | US | disclosed |
| US-20090186817-A1 | PEPTIDE-PEPTIDASE INHIBITOR CONJUGATES AND METHODS OF USING SAME | AMYLIN PHARMACEUTICALS, INC. (US) | 2009-07-23 | — | — | US | disclosed |
| US-7507726-B2 | Peptide deformylase inhibitors | SMITHKLINEBEECHAM CORPORATION (US) | 2009-03-24 | — | — | US | disclosed |
| US-7491712-B1 | Process for preparation of paricalcitol and intermediates thereof | FORMOSA LABORATORIES, INC. (TW) | 2009-02-17 | — | — | US | disclosed |
| US-20080167302-A1 | Peptide Deformylase Inhibitors | GLAXOSMITHKLINE LLC | 2008-07-10 | — | — | US | disclosed |
| EP-0119251-A1 | HYDROXYVITAMIN D 2? COMPOUNDS AND PROCESS FOR PREPARING THEM | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 1984-09-26 | — | — | EP | disclosed |
| US-4448721-A | Hydroxyvitamin D2 compounds and process for preparing same | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 1984-05-15 | — | — | US | disclosed |
| WO-1984001155-A1 | HYDROXYVITAMIN D2 COMPOUNDS AND PROCESS FOR PREPARING THEM | WISCONSIN ALUMNI RES FOUND (US) | 1984-03-29 | — | — | WO | disclosed |