⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23273097 | 0.77 | — | — | |
| SCHEMBL918529 | 0.66 | — | — | |
| SCHEMBL6854962 | 0.62 | — | — | |
| SCHEMBL918532 | 0.60 | — | — | |
| SCHEMBL2112764 | 0.60 | — | — | |
| SCHEMBL8840679 | 0.58 | — | — | |
| SCHEMBL156015 | 0.58 | — | — | |
| SCHEMBL5223334 | 0.55 | — | — | |
| SCHEMBL4298770 | 0.55 | HTT (0.32) | — | |
| SCHEMBL1060664 | 0.55 | — | — |
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-0854877-B1 | METALLOCENE-PHOSPHORAMIDITE CONJUGATES, PROCESS FOR THEIR PREPARATION AND THEIR USE | DEUTSCHES KREBSFORSCH (DE) | 2002-01-16 | — | — | EP | claimed |
| US-6211356-B1 | REACTING METALLOCENE WITH DICARBOXYLIC ACID ANHYDRIDE OR CHLORIDE TO GENERATE METALLOCENOYLALKYL CARBOXYLIC ACID; REDUCING TO GENERATE ALCOHOL; REACTING WITH PHOSPHORAMIDITE DERIVATIVE TO FORM METALLOCENE-PHOSPHORAMIDITE CONJUGATE | DEUTSCHES KREBSFORSCHUNGSZENTRUM STIFTUNG DES OFFENTLICHEN RECHTS (DE) | 2001-04-03 | — | — | US | claimed |
| EP-0854877-A1 | METALLOCENE-PHOSPHORAMIDITE CONJUGATES, PROCESS FOR THEIR PREPARATION AND THEIR USE | Deutsches Krebsforschungszentrum Stiftung des öffentlichen Rechts (DE) | 1998-07-29 | — | — | EP | claimed |
| WO-1997009337-A1 | METALLOCENE-PHOSPHORAMIDITE CONJUGATES, PROCESS FOR THEIR PREPARATION AND THEIR USE | Deutsches Krebsforschungszentrum Stiftung des öffentlichen Rechts (DE) | 1997-03-13 | — | — | WO | claimed |