⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27415335 | 0.73 | — | — | |
| SCHEMBL2575530 | 0.72 | SLC6A3 (0.33) | — | |
| SCHEMBL27651713 | 0.70 | SLC6A3 (0.36) | — | |
| SCHEMBL27796622 | 0.69 | SLC6A3 (0.32) | — | |
| SCHEMBL27492335 | 0.69 | SLC6A3 (0.32) | — | |
| SCHEMBL8676270 | 0.65 | SLC6A3 (0.39) | — | |
| SCHEMBL7069162 | 0.63 | SLC6A3 (0.35) | — | |
| SCHEMBL27752990 | 0.61 | SLC6A3 (0.35) | — | |
| SCHEMBL27589682 | 0.61 | SLC6A3 (0.42) | — | |
| SCHEMBL5401050 | 0.60 | SLC6A3 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1092213-C | Polymerisable composition, process for producing cross-linked polymers, and cross-linkable polymers | CIBA SC HOLDING INC (CH) | 2002-10-09 | — | — | CN | disclosed |
| CN-1173885-A | Polymerisable composition, process for producing cross-linked polymers, and cross-linkable polymers | CIBA GEIGY AG (CH) | 1998-02-18 | — | — | CN | disclosed |