⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6658330 | 0.82 | — | — | |
| SCHEMBL14895229 | 0.82 | — | — | |
| SCHEMBL6658335 | 0.82 | — | — | |
| SCHEMBL10432324 | 0.82 | ALDH1A1 (0.34) | — | |
| SCHEMBL21160147 | 0.80 | — | — | |
| SCHEMBL3698965 | 0.80 | — | — | |
| SCHEMBL11404048 | 0.78 | DNM1 (0.35) | — | |
| SCHEMBL3694091 | 0.78 | ALDH1A1 (0.33) | — | |
| SCHEMBL11404045 | 0.78 | DNM1 (0.35) | — | |
| SCHEMBL21581093 | 0.78 | TSHR (0.44) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1995025067-A1 | METHOD FOR THE SEPARATION AND PURIFICATION OF FULLERENES | ATWOOD JERRY L (US) | 1995-09-21 | — | — | WO | claimed |
| WO-2011116857-A1 | MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2011-09-29 | — | — | WO | disclosed |
| WO-2000008117-A1 | PROCESS FOR THE REMOVAL OF CARBONYL SULFIDE FROM LIQUID PETROLEUM GAS | UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF COMMERCE (US) | 2000-02-17 | — | — | WO | disclosed |
| US-5711927-A | Method for the purification and separation of fullerenes | ATWOOD JERRY L (US) | 1998-01-27 | — | — | US | disclosed |
| WO-1995025067-A1 | METHOD FOR THE SEPARATION AND PURIFICATION OF FULLERENES | ATWOOD JERRY L (US) | 1995-09-21 | — | — | WO | disclosed |
| US-4163024-A | NICKEL CATALYST | STUDIENGESELLSCHAFT KOHLE MBH. (DE) | 1979-07-31 | — | — | US | disclosed |