⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15577103 | 0.86 | KDM1A (0.33) | — | |
| SCHEMBL15577105 | 0.86 | KDM1A (0.33) | — | |
| Allylamine SCHEMBL3897770 | 0.83 | ALDH1A1 (0.60) | — | |
| Allylamine SCHEMBL4650567 | 0.80 | ALDH1A1 (0.56) | — | |
| Allylamine SCHEMBL3215908 | 0.80 | ALDH1A1 (0.56) | — | |
| SCHEMBL27922143 | 0.76 | TSHR (0.38) | — | |
| SCHEMBL22105 | 0.76 | — | — | |
| SCHEMBL6417269 | 0.76 | — | — | |
| Ethylamine SCHEMBL1685449 | 0.75 | ALDH1A1 (0.39) | — | |
| SCHEMBL14397173 | 0.74 | KDM1A (0.48) | — |
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-100438929-C | Bone cement compositions having fiber-reinforcement and/or increased flowability | NORIAN CORP (US) | 2008-12-03 | — | — | CN | disclosed |
| CN-1874798-A | Bone cement compositions having fiber-reinforcement and/or increased flowability | NORIAN CORP (US) | 2006-12-06 | — | — | CN | disclosed |