⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10667390 | 1.00 | — | — | |
| SCHEMBL10667386 | 1.00 | — | — | |
| SCHEMBL11372402 | 1.00 | — | — | |
| SCHEMBL4947148 | 1.00 | — | — | |
| SCHEMBL23752415 | 0.92 | SI (0.38) | — | |
| SCHEMBL10836664 | 0.92 | SI (0.38) | — | |
| SCHEMBL9470585 | 0.83 | — | — | |
| SCHEMBL1941147 | 0.67 | — | — | |
| SCHEMBL7007768 | 0.65 | — | — | |
| SCHEMBL8079693 | 0.63 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4383114-A | ANTITUMOR AGENTS | REGENTS OF THE UNIVERSITY OF MINNESOTA (US) | 1983-05-10 | — | — | US | claimed |
| WO-1997003053-A1 | N-(ACYLOXYMETHYL OR HYDROXYMETHYL) (OPTIONALLY (OXA OR THIA) SUBSTITUTED)BICYCLO([2.2.1] OR [2.2.2])AZALK(AN OR EN)ONE COMPOUNDS | RHÔNE-POULENC RORER PHARMACEUTICALS INC. (US) | 1997-01-30 | — | — | WO | disclosed |
| US-4383114-A | ANTITUMOR AGENTS | REGENTS OF THE UNIVERSITY OF MINNESOTA (US) | 1983-05-10 | — | — | US | disclosed |
| US-4268672-A | PREPARATION OF 5-AMINO-4N-(2,3B-DIHYDROXY-4-(HYDROXYMETHYL) CYCLOPENT-1-YL)AMINO-6-CHLOROPYRIMIDINE, CYCLIZATION, AND HALOGEN SUBSTITUTION | THE REGENTS OF THE UNIVERSITY OF MINNESOTA (US) | 1981-05-19 | — | — | US | disclosed |
| US-4223156-A | 1-CARBOXYMETHYL-4-AMIDO-CYCLOPENT-2-ENE | THE REGENTS OF THE UNIVERSITY OF MINNESOTA (US) | 1980-09-16 | — | — | US | disclosed |
| US-4138562-A | ANTITUMOR AGENTS, VIRICIDES | THE REGENTS OF THE UNIVERSITY OF MINNESOTA (US) | 1979-02-06 | — | — | US | disclosed |
| US-4138562-A | ANTITUMOR AGENTS, VIRICIDES | THE REGENTS OF THE UNIVERSITY OF MINNESOTA (US) | 1979-02-06 | — | — | US | disclosed |