⚠ 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 | |
|---|---|---|---|---|
| Tetrahydrothiophene SCHEMBL15008184 | 0.82 | — | — | |
| Tetrahydrothiophene SCHEMBL660965 | 0.81 | MEN1 (0.33) | — | |
| Tetrahydrothiophene SCHEMBL11496648 | 0.78 | KDM4E (0.43) | — | |
| Tetrahydrothiophene SCHEMBL5169596 | 0.74 | MEN1 (0.32) | — | |
| Tetrahydrothiophene SCHEMBL5712295 | 0.74 | — | — | |
| SCHEMBL10493368 | 0.73 | KDM4E (0.36) | — | |
| SCHEMBL79143 | 0.73 | — | — | |
| Tetrahydrothiophene SCHEMBL8372033 | 0.71 | — | — | |
| Tetrahydrothiophene SCHEMBL28509373 | 0.71 | CA5A (0.43) | — | |
| Tetrahydrothiophene SCHEMBL15008351 | 0.71 | — | — |
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-6699621-B2 | ELECTROPOLYMERIZING MONOMERS ON TO A SUBSTRATE IN A POLYMERIZATION SOLUTION; ELECTROCHEMICALLY CONDITIONING POLYMER SO AS TO INCREASE DISCHARGE EFFICIENCY AND CHARGE CAPACITY; DOPING TO IMPART A NON-NEUTRAL CHARGE | JOHNS HOPKINS UNIVERSITY | 2004-03-02 | — | — | US | disclosed |
| US-20030143461-A1 | METHOD FOR ELECTROCHEMICAL CONDITIONING POLYMERIC ELECTRODEDS | JOHNS HOPKINS UNIVERSITY | 2003-07-31 | — | — | US | disclosed |
| WO-2000041255-A1 | METHOD FOR ELECTROCHEMICAL CONDITIONING POLYMERIC ELECTRODES | JOHNS HOPKINS UNIVERSITY (US) | 2000-07-13 | — | — | WO | disclosed |