⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28157606 | 0.72 | — | — | |
| SCHEMBL6642646 | 0.70 | — | — | |
| SCHEMBL27382545 | 0.69 | MAP3K14 (0.36) | — | |
| SCHEMBL5532225 | 0.68 | — | — | |
| SCHEMBL30539472 | 0.68 | — | — | |
| Methane SCHEMBL27968137 | 0.65 | CYP2A6 (0.34) | — | |
| SCHEMBL27588791 | 0.64 | — | — | |
| SCHEMBL27971109 | 0.64 | — | — | |
| SCHEMBL12020335 | 0.63 | MEN1 (0.32) | — | |
| Methane SCHEMBL28012238 | 0.61 | ESR1 (0.31) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0724562-B1 | SYNTHESIS OF SPHINGOSINES | VIRGINIA TECH INTELL PROP (US) | 1998-06-03 | — | — | EP | claimed |
| CN-103819393-A | Compounds and therapeutic uses thereof | MYREXIS INC | 2014-05-28 | — | — | CN | disclosed |
| CN-102869261-A | Compounds and therapeutic uses thereof | MYREXIS INC | 2013-01-09 | — | — | CN | disclosed |
| EP-0724562-B1 | SYNTHESIS OF SPHINGOSINES | VIRGINIA TECH INTELL PROP (US) | 1998-06-03 | — | — | EP | disclosed |