⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7737717 | 0.70 | — | — | |
| SCHEMBL4556547 | 0.61 | — | — | |
| SCHEMBL27629472 | 0.61 | — | — | |
| SCHEMBL11880635 | 0.59 | — | — | |
| Chloroacetic Acid SCHEMBL27132800 | 0.59 | TSHR (0.62) | — | |
| Nornitrogen Mustard SCHEMBL5391167 | 0.59 | ALDH1A1 (0.38) | — | |
| SCHEMBL585350 | 0.59 | CA1 (0.33) | — | |
| SCHEMBL28161482 | 0.59 | CA2 (0.35) | — | |
| SCHEMBL28164797 | 0.58 | — | — | |
| SCHEMBL1504574 | 0.57 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-100427139-C | Water-soluble shps as novel alkylating agents | VION PHARMACEUTICALS INC (US) | 2008-10-22 | — | — | CN | disclosed |
| CN-101014353-A | Combination therapy comprising cloretazine(tm) | VION PHARMACEUTICALS INC (US) | 2007-08-08 | — | — | CN | disclosed |
| CN-1805752-A | Water-soluble shps as novel alkylating agents | VION PHARMACEUTICALS INC (US) | 2006-07-19 | — | — | CN | disclosed |