⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4544179 | 0.78 | — | — | |
| SCHEMBL19287316 | 0.75 | — | — | |
| SCHEMBL4595691 | 0.72 | TRPA1 (0.32) | — | |
| SCHEMBL2934356 | 0.71 | — | — | |
| SCHEMBL21846946 | 0.71 | HTR2A (0.43) | — | |
| SCHEMBL1760715 | 0.69 | — | — | |
| SCHEMBL6301594 | 0.69 | — | — | |
| SCHEMBL8648860 | 0.69 | — | — | |
| SCHEMBL21562303 | 0.67 | — | — | |
| SCHEMBL6122885 | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1960370-B1 | PYRIDIAZINONE DERIVATIVES FOR TUMOUR TREATMENT | MERCK PATENT GMBH (DE) | 2011-10-05 | — | — | EP | claimed |
| EP-0642513-B1 | INDOLOCARBAZOLE IMIDES AND THEIR USE | KTB TUMORFORSCHUNGSGESELLSCHAF (DE) | 2000-08-09 | — | — | EP | claimed |
| US-5919482-A | SOFT CAPSULES; CONTAINIONG LIQUID PARAFFIN | ORION-YHTYMA OY (FI) | 1999-07-06 | — | — | US | disclosed |
| EP-0804178-A1 | A GELATINE CAPSULE CONTAINING SELEGILINE OR DERIVATIVE AND PARAFFIN AS CARRIER | ORION-YHTYMÄ OY (FI) | 1997-11-05 | — | — | EP | disclosed |
| WO-1996019981-A1 | A GELATINE CAPSULE CONTAINING SELEGILINE OR DERIVATIVE AND PARAFFIN AS CARRIER | Orion-Yhtymä Oy (FI) | 1996-07-04 | — | — | WO | disclosed |