⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL62080 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL4269010 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL20561790 | 0.86 | ALDH1A1 (0.31) | — | |
| SCHEMBL478395 | 0.70 | — | — | |
| SCHEMBL3984914 | 0.70 | — | — | |
| SCHEMBL24250830 | 0.70 | — | — | |
| SCHEMBL13093806 | 0.70 | — | — | |
| SCHEMBL7997784 | 0.68 | — | — | |
| Methoxymethane SCHEMBL27958852 | 0.67 | — | — | |
| Chloroform SCHEMBL8784909 | 0.67 | — | — |
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-5593999-A | Non-classical folate analogue inhibitors of glycinamide ribonucleotide formyltransferase (GARFT) | NAIR MADHAVAN G (US) | 1997-01-14 | — | — | US | disclosed |
| WO-1996040680-A1 | NOVEL NON-CLASSICAL FOLATE ANALOGUE INHIBITORS OF GLYCINAMIDE RIBONUCLEOTIDE FORMYLTRANSFERASE (GARFT) | NAIR MADHAVAN G (US) | 1996-12-19 | — | — | WO | disclosed |