⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7690615 | 0.96 | — | — | |
| SCHEMBL7691665 | 0.92 | — | — | |
| SCHEMBL4221983 | 0.86 | — | — | |
| SCHEMBL7691021 | 0.77 | CA1 (0.32) | — | |
| SCHEMBL7690616 | 0.75 | — | — | |
| SCHEMBL18550211 | 0.74 | — | — | |
| SCHEMBL7690591 | 0.72 | THRB (0.39) | — | |
| SCHEMBL7688633 | 0.72 | CA1 (0.34) | — | |
| SCHEMBL2389532 | 0.72 | TSHR (0.46) | — | |
| SCHEMBL3765023 | 0.72 | TSHR (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0423767-B1 | Thermoplastic resin composition and method for preparing the same | NIPPON PETROCHEMICALS CO LTD (JP) | 1996-03-06 | — | — | EP | disclosed |