⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1154 | 0.85 | — | — | |
| SCHEMBL251442 | 0.85 | ALDH1A1 (0.33) | — | |
| SCHEMBL4132479 | 0.82 | — | — | |
| SCHEMBL29284756 | 0.82 | — | — | |
| Methylene Chloride SCHEMBL1778622 | 0.82 | — | — | |
| SCHEMBL15821191 | 0.80 | — | — | |
| SCHEMBL11864412 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL7542079 | 0.80 | TSHR (0.32) | — | |
| Water SCHEMBL337744 | 0.80 | TSHR (0.32) | — | |
| SCHEMBL18304645 | 0.80 | TSHR (0.32) | — |
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-6878833-B2 | Tetraalkylammonium alkoxides | FLORIDA STATE UNIVERSITY (US) | 2005-04-12 | — | — | US | disclosed |
| US-20040073047-A1 | Preparation of substituted isoserine esters using beta-lactams and metal or ammonium alkoxides | FLORIDA STATE UNIVERSITY | 2004-04-15 | — | — | US | disclosed |
| US-6653490-B2 | Reacting a beta -lactam with an alkoxide to form substituted isoserine ester compound | FLORIDA STATE UNIVERSITY | 2003-11-25 | — | — | US | disclosed |
| US-20030009039-A1 | Process for the preparation of ammonium alkoxides | FLORIDA STATE UNIVERSITY | 2003-01-09 | — | — | US | disclosed |
| US-6458977-B1 | TAXANE DERIVATIVES AS ANTICARCINOGENIC OR ANTITUMOR AGENTS | FLORIDA STATE UNIVERSITY | 2002-10-01 | — | — | US | disclosed |
| US-6124481-A | HAVING A TRICYCLIC TAXANO NUCLEUS | FLORIDA STATE UNIVERSITY (US) | 2000-09-26 | — | — | US | disclosed |
| US-5717115-A | Metal alkoxides and ammonium alkoxides | FLORIDA STATE UNIVERSITY (US) | 1998-02-10 | — | — | US | disclosed |
| US-5430160-A | Preparation of substituted isoserine esters using β-lactams and metal or ammonium alkoxides | FLORIDA STATE UNIVERSITY (US) | 1995-07-04 | — | — | US | disclosed |