⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7082287 | 0.85 | KDM4C (0.43) | — | |
| SCHEMBL14064830 | 0.83 | GGPS1 (0.47) | — | |
| SCHEMBL8416609 | 0.82 | — | — | |
| SCHEMBL7149327 | 0.80 | ALDH1A1 (0.41) | — | |
| SCHEMBL23049142 | 0.79 | CA12 (0.50) | — | |
| SCHEMBL14189531 | 0.79 | — | — | |
| SCHEMBL3359503 | 0.79 | — | — | |
| Acetic Acid SCHEMBL3414136 | 0.78 | KDM4C (0.47) | — | |
| SCHEMBL7079962 | 0.78 | — | — | |
| SCHEMBL15308552 | 0.77 | ALDH1A1 (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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2015043364-A1 | BENZOXAZOLEOXAZINE KETONE COMPOUND AS BLOOD COAGULATION FACTOR XA INHIBITOR | 华北制药集团新药研究开发有限责任公司 | 2015-04-02 | — | — | WO | disclosed |
| US-20140309265-A1 | MACROCYCLIC COMPOUNDS FOR INHIBITION OF INHIBITORS OF APOPTOSIS | ENSEMBLE THERAPEUTICS (US) | 2014-10-16 | — | — | US | disclosed |
| US-20140256639-A1 | PEPTOID NEUTRALIZING AGENTS | UNIV CALIFORNIA (US) | 2014-09-11 | — | — | US | disclosed |
| US-20140256638-A1 | PEPTOID NEUTRALIZING AGENTS | UNIV CALIFORNIA (US) | 2014-09-11 | — | — | US | disclosed |
| US-7749331-B2 | Use of polymers for modifying surfaces in cleaning applications | BASF AKTIENGESELLSCHAFT (DE) | 2010-07-06 | — | — | US | disclosed |
| US-20080032911-A1 | Use of Polymers for Modifying Surfaces in Cleaning Applications | BASF AKTIENGESELLSCHAFT (DE) | 2008-02-07 | — | — | US | disclosed |
| US-20030118520-A1 | Cleaning composition for dental prostheses | CLARIANT GMBH (DE) | 2003-06-26 | — | — | US | disclosed |
| US-20020122775-A1 | Cleaning compostion for dental prostheses | CLARIANT GMBH | 2002-09-05 | — | — | US | disclosed |
| EP-1203576-A1 | Denture cleaning composition | Clariant GmbH (DE) | 2002-05-08 | — | — | EP | disclosed |