⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4511207 | 0.71 | — | — | |
| SCHEMBL443371 | 0.71 | — | — | |
| Ammonia Solution, Strong SCHEMBL9520449 | 0.69 | — | — | |
| SCHEMBL15862754 | 0.67 | — | — | |
| SCHEMBL6946235 | 0.67 | — | — | |
| SCHEMBL9865271 | 0.63 | — | — | |
| SCHEMBL8984853 | 0.63 | — | — | |
| SCHEMBL13974149 | 0.63 | — | — | |
| SCHEMBL2598241 | 0.63 | — | — | |
| SCHEMBL27711674 | 0.63 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1995021848-A1 | SPHINGOID BASES AND METHODS FOR THEIR PREPARATION AND USE | THE UNITED STATES OF AMERICA, REPRESENTED BY THE (US) | 1995-08-17 | — | — | WO | disclosed |
| US-5430169-A | Method for preparation of sphingoid bases | THE UNITED STATES OF AMERICA REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 1995-07-04 | — | — | US | disclosed |