⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4663040 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL4666850 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL4665050 | 0.71 | — | — | |
| SCHEMBL12816535 | 0.64 | — | — | |
| SCHEMBL4664947 | 0.62 | — | — | |
| SCHEMBL28265464 | 0.59 | CTSD (0.32) | — | |
| SCHEMBL27894201 | 0.57 | CTSD (0.31) | — | |
| SCHEMBL8853537 | 0.57 | CTSD (0.31) | — | |
| Hydrochloric Acid SCHEMBL8846337 | 0.56 | CTSD (0.30) | — | |
| Hydrochloric Acid SCHEMBL5888446 | 0.56 | CTSD (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20080281139-A1 | Catalyst for Propylene Dimerization and Dimerization Method | MITSUI CHEMICALS, INC. (JP) | 2008-11-13 | — | — | US | disclosed |
| EP-1872853-A1 | CATALYST FOR PROPYLENE DIMERIZATION AND DIMERIZATION METHOD | Mitsui Chemicals, Inc. (JP) | 2008-01-02 | — | — | EP | disclosed |