⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18417861 | 0.73 | — | — | |
| SCHEMBL8066724 | 0.73 | — | — | |
| SCHEMBL16359016 | 0.69 | — | — | |
| SCHEMBL15839797 | 0.69 | — | — | |
| SCHEMBL14393104 | 0.67 | ALDH1A1 (0.32) | — | |
| SCHEMBL31162552 | 0.64 | HTR1D (0.30) | — | |
| SCHEMBL19485116 | 0.64 | MAPK1 (0.31) | — | |
| SCHEMBL934956 | 0.63 | — | — | |
| SCHEMBL9523271 | 0.63 | — | — | |
| SCHEMBL8516763 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7125999-B2 | Process for producing organotitanium compound and process for addition reaction | NISSAN CHEMICAL INDUSTIES, LTD. (JP) | 2006-10-24 | — | — | US | disclosed |
| US-20040167344-A1 | Process for producing organotitanium compound and process for addition reaction | FUMIE SATO | 2004-08-26 | — | — | US | disclosed |
| US-6743916-B2 | REACTING AN ACETYLENE COMPOUND IN THE PRESENCE OF A TITANIUM COMPOUND AND GRIGNARD REAGENT TO OBTAIN ORGANOTITANIUM COMPOUND | Sato, Fumie (JP) | 2004-06-01 | — | — | US | disclosed |
| US-20030096996-A1 | Process for producing organotitanium compound and process for addition reaction | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 2003-05-22 | — | — | US | disclosed |