⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23792347 | 0.78 | — | — | |
| SCHEMBL8213665 | 0.75 | MGAM (0.43) | — | |
| SCHEMBL835832 | 0.75 | — | — | |
| SCHEMBL13478025 | 0.74 | — | — | |
| SCHEMBL6226292 | 0.73 | — | — | |
| SCHEMBL15492167 | 0.72 | ALDH1A1 (0.34) | — | |
| SCHEMBL12714955 | 0.72 | — | — | |
| SCHEMBL14943008 | 0.71 | — | — | |
| SCHEMBL6548521 | 0.71 | — | — | |
| SCHEMBL24302489 | 0.71 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2831075-B1 | 1,3,4-OXADIAZOLE AND 1,3,4-THIADIAZOLE BETA-LACTAMASE INHIBITORS | MERCK SHARP & DOHME (US) | 2017-11-08 | — | — | EP | disclosed |
| WO-2015003166-A1 | SUBSTITUTED BENZOFURANYL AND BENZOXAZOLYL COMPOUNDS AND USES THEREOF | Karyopharm Therapeutics Inc. (US) | 2015-01-08 | — | — | WO | disclosed |
| WO-2014202528-A1 | OLEFIN SUBSTITUTED OXINDOLES HAVING AMPK ACTIVITY | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-12-24 | — | — | WO | disclosed |
| WO-2014152588-A1 | COVALENT INHIBITORS OF KRAS G12C | ARAXES PHARMA LLC (US) | 2014-09-25 | — | — | WO | disclosed |
| EP-1680443-B9 | STABILIZED ALPHA HELICAL PEPTIDES AND USES THEREOF | DANA FARBER CANCER INST INC (US) | 2014-09-03 | — | — | EP | disclosed |
| EP-1680443-B1 | STABILIZED ALPHA HELICAL PEPTIDES AND USES THEREOF | DANA FARBER CANCER INST INC (US) | 2013-09-04 | — | — | EP | disclosed |
| WO-2011127567-A1 | INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY | METHYLGENE INC. (CA) | 2011-10-20 | — | — | WO | disclosed |
| WO-2011043817-A1 | COFERONS AND METHODS OF MAKING AND USING THEM | CORNELL UNIVERSITY (US) | 2011-04-14 | — | — | WO | disclosed |
| EP-1515724-B1 | MITOTIC KINESIN INHIBITORS | MERCK & CO INC (US) | 2009-10-21 | — | — | EP | disclosed |
| WO-2009008905-A1 | HYDROXAMIC ACID DERIVATIVES OF PHENOXY-ACETIC ACIDS AND ANALOGS USEFUL AS THERAPEUTIC AGENTS FOR TREATING ANTHRAX POISONING | PANTHERA BIOPHARMA, LLC. | 2009-01-15 | — | — | WO | disclosed |
| EP-1997828-A2 | Stabilized alpha helical peptides from BCL-2 and uses thereof | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2008-12-03 | — | — | EP | disclosed |