⚠ 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 | |
|---|---|---|---|---|
| 1-Isothiocyanatopentane SCHEMBL175645 | 0.97 | — | — | |
| SCHEMBL1457042 | 0.95 | NAAA (1.00) | — | |
| SCHEMBL330890 | 0.95 | NAAA (1.00) | — | |
| 1-Isothiocyanatooctane SCHEMBL331051 | 0.95 | NAAA (1.00) | — | |
| SCHEMBL10822521 | 0.95 | NAAA (1.00) | — | |
| SCHEMBL9831163 | 0.95 | NAAA (1.00) | — | |
| 1-Isothiocyanatoheptane SCHEMBL330703 | 0.95 | NAAA (1.00) | — | |
| SCHEMBL331790 | 0.95 | NAAA (1.00) | — | |
| SCHEMBL3792821 | 0.95 | NAAA (1.00) | — | |
| 1-Isothiocyanatopentane SCHEMBL8007299 | 0.95 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5227309-A | C-terminal peptide sequencing method | CITY OF HOPE (US) | 1993-07-13 | — | — | US | claimed |
| EP-0823056-A4 | METHOD OF CARBOXY TERMINAL PROTEIN OR PEPTIDE SEQUENCING | SMITHKLINE BEECHAM CORP (US) | 2000-04-19 | — | — | EP | disclosed |
| US-5968834-A | Method of carboxy terminal protein or peptide sequencing | SMITHKLINE BEECHAM CORPORATION (US) | 1999-10-19 | — | — | US | disclosed |
| EP-0823056-A1 | METHOD OF CARBOXY TERMINAL PROTEIN OR PEPTIDE SEQUENCING | SMITHKLINE BEECHAM CORPORATION (US) | 1998-02-11 | — | — | EP | disclosed |
| US-5641685-A | Method carboxy terminal protein or peptide sequencing | SMITHKLINE BEECHAM CORPORATION (US) | 1997-06-24 | — | — | US | disclosed |
| WO-1996034289-A1 | METHOD OF CARBOXY TERMINAL PROTEIN OR PEPTIDE SEQUENCING | SMITHKLINE BEECHAM CORPORATION (US) | 1996-10-31 | — | — | WO | disclosed |
| US-5227309-A | C-terminal peptide sequencing method | CITY OF HOPE (US) | 1993-07-13 | — | — | US | disclosed |
| US-5227309-A | C-terminal peptide sequencing method | CITY OF HOPE (US) | 1993-07-13 | — | — | US | disclosed |