⚠ 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 SCHEMBL6067109 | 0.79 | — | — | |
| SCHEMBL17023010 | 0.75 | KDM4E (0.35) | — | |
| Hydrochloric Acid SCHEMBL20474439 | 0.74 | OXTR (0.32) | — | |
| Dimethylamine SCHEMBL7211211 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL137751 | 0.73 | KDM4E (0.34) | — | |
| Hydrochloric Acid SCHEMBL5603096 | 0.71 | OXTR (0.30) | — | |
| SCHEMBL7207618 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL5600684 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL5600705 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL5601749 | 0.68 | OXTR (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-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 |