⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8501155 | 0.91 | DAO (0.30) | — | |
| SCHEMBL9248536 | 0.91 | DAO (0.30) | — | |
| SCHEMBL612988 | 0.91 | DAO (0.30) | — | |
| Trifluoromethanesulfonic Acid SCHEMBL3921811 | 0.77 | PTGS2 (0.31) | — | |
| SCHEMBL6944629 | 0.69 | DAO (0.39) | — | |
| SCHEMBL2484399 | 0.64 | DAO (0.32) | — | |
| SCHEMBL9231007 | 0.62 | — | — | |
| SCHEMBL12583840 | 0.62 | — | — | |
| SCHEMBL6099140 | 0.61 | — | — | |
| SCHEMBL10759055 | 0.60 | TSHR (0.32) | — |
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-6379861-B1 | POLY(METH)ACRYLATE ESTER WITH TERTIARY OR QUATERNARY CARBON AND PHOTOACTIVE COMPOUND; HIGH RESOLUTION RELIEF IMAGES; CHEMICALLY-AMPLIFIED POSITIVES | SHIPLEY COMPANY, L.L.C. | 2002-04-30 | — | — | US | disclosed |
| US-6136501-A | PHOTORESIST COMPOSITION COMPRISING PHOTOACTIVE COMPONENT AND POLYMER THAT COMPRISES ESTER GROUPS | SHIPLEY COMPANY, L.L.C. (US) | 2000-10-24 | — | — | US | disclosed |