⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6802435 | 0.97 | — | — | |
| SCHEMBL21452364 | 0.90 | — | — | |
| SCHEMBL13374694 | 0.87 | ALDH1A1 (0.34) | — | |
| SCHEMBL16323153 | 0.72 | — | — | |
| SCHEMBL25878264 | 0.72 | — | — | |
| SCHEMBL30140774 | 0.69 | TDP1 (0.32) | — | |
| SCHEMBL15373115 | 0.67 | — | — | |
| SCHEMBL11038936 | 0.65 | HDAC3 (0.30) | — | |
| SCHEMBL28631841 | 0.65 | — | — | |
| SCHEMBL22966488 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004005263-A1 | METHOD FOR PRODUCING 1-METHYLCYCLOPROPYLGUANIDINE | DEGUSSA AG (DE) | 2004-01-15 | — | — | WO | claimed |
| US-9688668-B2 | Long chain base sphingosine kinase inhibitors | UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) | 2017-06-27 | — | — | US | disclosed |
| US-9688668-B2 | Long chain base sphingosine kinase inhibitors | UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) | 2017-06-27 | — | — | US | disclosed |
| US-20150210675-A1 | LONG CHAIN BASE SPHINGOSINE KINASE INHIBITORS | UNIVERSITY OF VIRGINIA PATENT FOUNDATION | 2015-07-30 | — | — | US | disclosed |
| US-20150210675-A1 | LONG CHAIN BASE SPHINGOSINE KINASE INHIBITORS | UNIVERSITY OF VIRGINIA PATENT FOUNDATION | 2015-07-30 | — | — | US | disclosed |
| WO-2004005263-A1 | METHOD FOR PRODUCING 1-METHYLCYCLOPROPYLGUANIDINE | DEGUSSA AG (DE) | 2004-01-15 | — | — | WO | disclosed |
| WO-2004005263-A1 | METHOD FOR PRODUCING 1-METHYLCYCLOPROPYLGUANIDINE | DEGUSSA AG (DE) | 2004-01-15 | — | — | WO | disclosed |
| EP-1345947-A1 | A NEW PROCESS FOR PREPARING FUSED 1,2,4-THIADIAZINE DERIVATIVES | NOVO NORDISK A/S (DK) | 2003-09-24 | — | — | EP | disclosed |
| WO-2002050085-A1 | A NEW PROCESS FOR PREPARING FUSED 1,2,4-THIADIAZINE DERIVATIVES | NOVO NORDISK A/S (DK) | 2002-06-27 | — | — | WO | disclosed |
| EP-1194430-A1 | NOVEL PROCESS | NOVO NORDISK A/S (DK) | 2002-04-10 | — | — | EP | disclosed |
| WO-2001002410-A1 | NOVEL PROCESS | NOVO NORDISK A/S (DK) | 2001-01-11 | — | — | WO | disclosed |