⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25184627 | 0.83 | ALDH1A1 (0.44) | — | |
| SCHEMBL24133440 | 0.80 | MEN1 (0.35) | — | |
| SCHEMBL8950674 | 0.76 | — | — | |
| SCHEMBL15309765 | 0.76 | ALDH1A1 (0.37) | — | |
| SCHEMBL14996030 | 0.74 | — | — | |
| SCHEMBL6893105 | 0.74 | — | — | |
| SCHEMBL28196450 | 0.74 | MEN1 (0.30) | — | |
| SCHEMBL6130157 | 0.73 | ALDH1A1 (0.38) | — | |
| SCHEMBL8208263 | 0.72 | ALDH1A1 (0.39) | — | |
| SCHEMBL1164528 | 0.72 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5990158-A | EXTRACELLULAR MATRIX METALLOPROTEINASES INHIBITORS; ORAL ADMINISTRATION; BIOAVAILABILITY; E.G.,N-(2-(2'-(5-METHYL-2-OXO-1,3-DIOXOL-4-YL)METHYLENE-OXY-2'-OXO-ETHYL)-5 -(4-METH-OXYPHENYL)OXY)PENTANOYL)PHENYLALANINE N-METHYLAMIDE | KOTOBUKI SEIYAKU CO., LTD. (JP) | 1999-11-23 | — | — | US | disclosed |
| US-4897477-A | ANTITUMOR ALKALOIDS | UNIVERSITY OF VERMONT & STATE AGRICULTURAL COLLEGE (US) | 1990-01-30 | — | — | US | disclosed |
| US-4841045-A | ANTITUMOR AGENTS | UNIVERSITY OF VERMONT & STATE AGRICULTURAL COLLEGE (US) | 1989-06-20 | — | — | US | disclosed |