⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL991828 | 0.89 | TSHR (0.35) | — | |
| SCHEMBL991314 | 0.86 | NR5A1 (0.38) | — | |
| SCHEMBL322235 | 0.85 | LMNA (0.42) | — | |
| SCHEMBL7931483 | 0.84 | GAA (0.32) | — | |
| SCHEMBL9674064 | 0.84 | — | — | |
| SCHEMBL4191032 | 0.81 | LTA4H (0.41) | — | |
| SCHEMBL6343472 | 0.76 | LTA4H (0.30) | — | |
| SCHEMBL1607620 | 0.76 | TAS1R3 (0.31) | — | |
| SCHEMBL13406766 | 0.75 | ALDH1A1 (0.45) | — | |
| SCHEMBL11695011 | 0.75 | LTA4H (0.53) | — |
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-6030746-A | CHEMICALLY AMPLIFIED POSITIVE RESIST COMPRISES A ORGANIC SOLVENT, AN ALKALI SOLUBLE RESIN, A PHOTOACID GENERATOR AND A DISSOLUTION RATE REGULATOR | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2000-02-29 | — | — | US | disclosed |
| US-5856561-A | Bisphenol carboxylic acid tertiary ester derivatives and chemically amplified positive resist compositions | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1999-01-05 | — | — | US | disclosed |