⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6281752 | 0.74 | KDM4E (0.31) | — | |
| SCHEMBL7220256 | 0.74 | — | — | |
| SCHEMBL6677245 | 0.74 | TSHR (0.33) | — | |
| SCHEMBL12389992 | 0.74 | — | — | |
| SCHEMBL6676256 | 0.73 | — | — | |
| SCHEMBL6162381 | 0.70 | ALDH1A1 (0.33) | — | |
| SCHEMBL12589 | 0.69 | — | — | |
| SCHEMBL23884014 | 0.69 | — | — | |
| SCHEMBL15981272 | 0.69 | — | — | |
| SCHEMBL6360972 | 0.69 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8741044-B1 | Cycylohexyl-mannitol diketal derivatives as vehicle modifiers and gelators | XEROX CORPORATION (US) | 2014-06-03 | — | — | US | disclosed |
| US-8741044-B1 | Cycylohexyl-mannitol diketal derivatives as vehicle modifiers and gelators | XEROX CORPORATION (US) | 2014-06-03 | — | — | US | disclosed |
| US-6503898-B1 | Administering 4,7-dibenzyl-5,6-dihydroxy-N,N*-di(m-aminobenzyl)--1,3-diazepin-2-one or salt to treat human immunodeficiency virus infection | BRISTOL-MYERS SQUIBB PHARMA COMPANY | 2003-01-07 | — | — | US | disclosed |