⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5946103 | 0.70 | — | — | |
| SCHEMBL9423718 | 0.67 | TDP1 (0.33) | — | |
| SCHEMBL10695188 | 0.63 | TDP1 (0.50) | — | |
| SCHEMBL569712 | 0.63 | — | — | |
| SCHEMBL9423565 | 0.63 | EYA2 (0.30) | — | |
| SCHEMBL857558 | 0.63 | — | — | |
| SCHEMBL7713378 | 0.63 | — | — | |
| Hydrochloric Acid SCHEMBL6177026 | 0.61 | — | — | |
| SCHEMBL5548837 | 0.61 | — | — | |
| SCHEMBL9423516 | 0.61 | LMNA (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017132459-A1 | DNA ALKYLATION AND CROSS-LINKING AGENTS AS COMPOUNDS AND PAYLOADS FOR TARGETED THERAPIES | YALE UNIVERSITY (US) | 2017-08-03 | — | — | WO | disclosed |
| EP-1379514-B1 | 5-MEMBERED HETEROCYCLES, PREPARATION AND APPLICATION THEREOF AS MEDICAMENTS | IPSEN PHARMA (FR) | 2009-07-15 | — | — | EP | disclosed |
| EP-1379514-A2 | 5-MEMBERED HETEROCYCLES, PREPARATION AND APPLICATION THEREOF AS MEDICAMENTS | SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) | 2004-01-14 | — | — | EP | disclosed |
| WO-2002083656-A2 | 5-MEMBERED HETEROCYCLES, PREPARATION AND USE THEREOF AS MAO INHIBITORS AND LIPID PEROXIDATION INHIBITORS, PREPARATION THEREOF AND USE THEREOF AS MEDICAMENTS | SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) | 2002-10-24 | — | — | WO | disclosed |