⚠ 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 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL4665042 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL3390257 | 0.63 | — | — | |
| SCHEMBL4633204 | 0.59 | NPC1 (0.48) | — | |
| SCHEMBL4663343 | 0.56 | SKP2 (0.37) | — | |
| SCHEMBL23925988 | 0.54 | CYP1A2 (0.30) | — | |
| SCHEMBL28158365 | 0.53 | HTT (0.42) | — | |
| SCHEMBL10621811 | 0.53 | — | — | |
| SCHEMBL15234704 | 0.53 | HTT (0.42) | — | |
| SCHEMBL8645558 | 0.51 | TYMP (0.45) | — |
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 |