⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31039636 | 0.87 | GPR3 (0.31) | — | |
| SCHEMBL6250424 | 0.87 | GPR3 (0.31) | — | |
| SCHEMBL6253720 | 0.77 | ADRA2C (0.30) | — | |
| SCHEMBL31039634 | 0.77 | ADRA2C (0.30) | — | |
| SCHEMBL6252946 | 0.76 | PARP1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL6250421 | 0.74 | GPR3 (0.30) | — | |
| Hydrochloric Acid SCHEMBL31039632 | 0.74 | GPR3 (0.30) | — | |
| SCHEMBL30150731 | 0.72 | — | — | |
| SCHEMBL8419247 | 0.71 | HTR2A (0.33) | — | |
| SCHEMBL28430120 | 0.70 | CHRM2 (0.34) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111433231-B | Method for producing styrene resin and styrene resin molded body | 出光兴产株式会社 | 2024-07-16 | — | — | CN | disclosed |
| CN-111433231-A | Method for producing styrene resin and styrene resin molded body | 出光兴产株式会社 | 2020-07-17 | — | — | CN | disclosed |
| CN-111417658-A | Styrene resin, styrene resin composition, molded article thereof, and method for producing styrene resin | 出光兴产株式会社 | 2020-07-14 | — | — | CN | disclosed |