⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6285742 | 0.73 | — | — | |
| SCHEMBL30457686 | 0.73 | — | — | |
| Bicarbonate SCHEMBL7645241 | 0.69 | — | — | |
| SCHEMBL19750859 | 0.68 | TSHR (0.35) | — | |
| SCHEMBL6278044 | 0.68 | — | — | |
| SCHEMBL27810971 | 0.67 | — | — | |
| SCHEMBL1515601 | 0.65 | — | — | |
| SCHEMBL4552436 | 0.64 | — | — | |
| SCHEMBL218031 | 0.63 | — | — | |
| SCHEMBL15847948 | 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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6924082-B1 | Double-bond shifts of substituted (4n)-annulenes for information storage and data processing | CIBA SPECIALTY CHEMICALS CORPORATION (US) | 2005-08-02 | — | — | US | claimed |
| EP-0944899-B1 | DOUBLE-BOND SHIFTS OF SUBSTITUTED (4N)-ANNULENES FOR INFORMATION STORAGE AND DATA PROCESSING | CIBA SC HOLDING AG (CH) | 2002-08-07 | — | — | EP | claimed |
| EP-0944899-A1 | DOUBLE-BOND SHIFTS OF SUBSTITUTED (4N)-ANNULENES FOR INFORMATION STORAGE AND DATA PROCESSING | Ciba Specialty Chemicals Holding Inc. (CH) | 1999-09-29 | — | — | EP | claimed |
| WO-1998026412-A1 | DOUBLE-BOND SHIFTS OF SUBSTITUTED (4N)-ANNULENES FOR INFORMATION STORAGE AND DATA PROCESSING | KANTON ZÜRICH VERTRETEN DURCH DIE UNIVERSITÄT ZÜRICH (CH) | 1998-06-18 | — | — | WO | claimed |
| US-6924082-B1 | Double-bond shifts of substituted (4n)-annulenes for information storage and data processing | CIBA SPECIALTY CHEMICALS CORPORATION (US) | 2005-08-02 | — | — | US | disclosed |
| EP-0944899-B1 | DOUBLE-BOND SHIFTS OF SUBSTITUTED (4N)-ANNULENES FOR INFORMATION STORAGE AND DATA PROCESSING | CIBA SC HOLDING AG (CH) | 2002-08-07 | — | — | EP | disclosed |
| EP-0944899-A1 | DOUBLE-BOND SHIFTS OF SUBSTITUTED (4N)-ANNULENES FOR INFORMATION STORAGE AND DATA PROCESSING | Ciba Specialty Chemicals Holding Inc. (CH) | 1999-09-29 | — | — | EP | disclosed |
| WO-1998026412-A1 | DOUBLE-BOND SHIFTS OF SUBSTITUTED (4N)-ANNULENES FOR INFORMATION STORAGE AND DATA PROCESSING | KANTON ZÜRICH VERTRETEN DURCH DIE UNIVERSITÄT ZÜRICH (CH) | 1998-06-18 | — | — | WO | disclosed |