⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8440671 | 1.00 | — | — | |
| SCHEMBL10933947 | 1.00 | — | — | |
| SCHEMBL28394176 | 0.80 | — | — | |
| SCHEMBL3163799 | 0.79 | — | — | |
| SCHEMBL4816902 | 0.75 | — | — | |
| SCHEMBL9976313 | 0.75 | TDP1 (0.46) | — | |
| SCHEMBL419473 | 0.73 | — | — | |
| SCHEMBL21498575 | 0.73 | — | — | |
| SCHEMBL8820540 | 0.73 | — | — | |
| SCHEMBL675318 | 0.73 | — | — |
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-5962642-A | TREATING PROTEIN/PEPTIDE HAVING AMINO TERMINAL ACETYLATED AMINO ACID WITH ACID TO ACETYLATE HYDROXYL GROUP, TREATING WITH ISOTHIOCYANATE COMPOUND IN PRESENCE OF ACID TO FORM THIOCARBAMYL PROTEIN/PEPTIDE, ANALYSIS BY EDMAN DEGRADATION | SEIKO INSTRUMENTS INC. (JP) | 1999-10-05 | — | — | US | claimed |
| US-5962642-A | TREATING PROTEIN/PEPTIDE HAVING AMINO TERMINAL ACETYLATED AMINO ACID WITH ACID TO ACETYLATE HYDROXYL GROUP, TREATING WITH ISOTHIOCYANATE COMPOUND IN PRESENCE OF ACID TO FORM THIOCARBAMYL PROTEIN/PEPTIDE, ANALYSIS BY EDMAN DEGRADATION | SEIKO INSTRUMENTS INC. (JP) | 1999-10-05 | — | — | US | disclosed |