⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12140443 | 1.00 | — | — | |
| SCHEMBL10578538 | 1.00 | — | — | |
| SCHEMBL12620348 | 0.77 | — | — | |
| SCHEMBL8280629 | 0.74 | — | — | |
| SCHEMBL15925932 | 0.74 | SPHK1 (0.32) | — | |
| SCHEMBL158240 | 0.72 | CYP1A2 (0.31) | — | |
| SCHEMBL1503804 | 0.72 | CYP1A2 (0.31) | — | |
| SCHEMBL12088012 | 0.71 | — | — | |
| SCHEMBL17305957 | 0.71 | — | — | |
| SCHEMBL5018437 | 0.71 | SPHK1 (0.30) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2802326-B1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2018-04-18 | — | — | EP | disclosed |
| US-20170097567-A1 | METHOD FOR PRODUCING POLYMER | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2017-04-06 | — | — | US | disclosed |
| US-20160229940-A1 | POLYMER, RESIST COMPOSITION, AND PATTERN FORMING PROCESS | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2016-08-11 | — | — | US | disclosed |
| US-9133097-B2 | Use of unsaturated sphingosine compounds as chemotherapeutic agents for the treatment of cancer | CHILDREN'S HOSPITAL & RESEARCH CENTER AT OAKLAND (US) | 2015-09-15 | — | — | US | disclosed |
| US-20150051207-A1 | USE OF UNSATURATED SPHINGOSINE COMPOUNDS AS CHEMOTHERAPEUTIC AGENTS FOR THE TREATMENT OF CANCER | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2015-02-19 | — | — | US | disclosed |
| US-8741967-B2 | Use of unsaturated sphingosine compounds as chemotherapeutic agents for the treatment of cancer | CHILDREN'S HOSPITAL & RESEARCH CENTER AT OAKLAND (US) | 2014-06-03 | — | — | US | disclosed |
| US-20110098317-A1 | USE OF UNSATURATED SPHINGOSINE COMPOUNDS AS CHEMOTHERAPEUTIC AGENTS FOR THE TREATMENT OF CANCER | CHILDREN'S HOSPITAL & RESEARCH CENTER AT OAKLAND (US) | 2011-04-28 | — | — | US | disclosed |