⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8146878 | 0.99 | — | — | |
| SCHEMBL7211827 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL8155616 | 0.85 | — | — | |
| SCHEMBL586968 | 0.82 | — | — | |
| Dimethylamine SCHEMBL7212779 | 0.81 | — | — | |
| Fluoride SCHEMBL1130564 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL3677303 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL6444037 | 0.80 | — | — | |
| SCHEMBL7541104 | 0.80 | — | — | |
| Dimethylamine SCHEMBL7206835 | 0.80 | — | — |
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-6610872-B1 | Zirconim complex containing a dialkylaminoalkylcyclopenta-dienyl or indenyl group and a hydorcarbon cyclopentadienyl group | DIRECTOR-GENERAL OF AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) | 2003-08-26 | — | — | US | disclosed |
| US-6140448-A | Process for preparing polysilane by catalytic dehydrogenative condensation of organosilane and metal complex catalyst therefor | DIRECTOR-GENERAL OF AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) | 2000-10-31 | — | — | US | disclosed |