⚠ 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 | |
|---|---|---|---|---|
| Bromomethane SCHEMBL21803200 | 0.75 | CA12 (0.43) | — | |
| SCHEMBL4262422 | 0.74 | — | — | |
| SCHEMBL196953 | 0.74 | CA12 (0.41) | — | |
| SCHEMBL6131634 | 0.74 | — | — | |
| SCHEMBL1979557 | 0.74 | — | — | |
| SCHEMBL6236180 | 0.74 | — | — | |
| SCHEMBL17635577 | 0.74 | — | — | |
| SCHEMBL22426748 | 0.74 | CA12 (0.39) | — | |
| SCHEMBL29579255 | 0.74 | CA12 (0.53) | — | |
| SCHEMBL11390072 | 0.72 | CA12 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009033165-A1 | HYPOXIA ACTIVATED PRODRUGS OF BIS-ALKYLATING AGENTS | THRESHOLD PHARMACEUTICALS, INC. (US) | 2009-03-12 | — | — | WO | claimed |
| WO-2009033165-A1 | HYPOXIA ACTIVATED PRODRUGS OF BIS-ALKYLATING AGENTS | THRESHOLD PHARMACEUTICALS, INC. (US) | 2009-03-12 | — | — | WO | disclosed |