⚠ 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 | |
|---|---|---|---|---|
| Acetonitrile SCHEMBL528219 | 1.00 | — | — | |
| Acetonitrile SCHEMBL10594717 | 1.00 | — | — | |
| Acetonitrile SCHEMBL27602399 | 0.96 | — | — | |
| Acetonitrile SCHEMBL28012599 | 0.96 | — | — | |
| Acetonitrile SCHEMBL586 | 0.95 | — | — | |
| Acetonitrile SCHEMBL2259244 | 0.95 | — | — | |
| Acetonitrile SCHEMBL15051448 | 0.95 | — | — | |
| Acetonitrile SCHEMBL8467273 | 0.95 | — | — | |
| Acetonitrile SCHEMBL27566580 | 0.92 | — | — | |
| Acetonitrile SCHEMBL2812301 | 0.91 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6103445-A | POLYMER OF A T-BUTYL ESTER OF NORBORNENE CARBOXYLIC ACID ANALOG, A PHOTOACID GENERATOR, AND PLASTICIZER COMPRISING A DI-TERT-BUTYL ESTER OF A POLYCYCLIC DICARBOXYLIC ACID; TRANSPARENCY AT 193 NM AND AN ETCH RESISTANCE; RESOLUTION | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 2000-08-15 | — | — | US | disclosed |