⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15666715 | 0.80 | — | — | |
| SCHEMBL2803602 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL21638749 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL4163124 | 0.75 | — | — | |
| SCHEMBL4577245 | 0.74 | — | — | |
| SCHEMBL4576972 | 0.74 | — | — | |
| SCHEMBL540420 | 0.74 | NPC1 (0.31) | — | |
| SCHEMBL2805365 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL4576943 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL22607475 | 0.72 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100190941-A1 | TRANSITION METAL COMPOUND, CATALYST FOR OLEFIN POLYMERIZATION, AND PROCESS FOR PRODUCING OLEFIN POLYMER | MITSUI CHEMICALS, INC. | 2010-07-29 | — | — | US | disclosed |