⚠ 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 | |
|---|---|---|---|---|
| Methylene Chloride SCHEMBL1154217 | 0.82 | — | — | |
| Methylene Chloride SCHEMBL18247337 | 0.82 | — | — | |
| Methylene Chloride SCHEMBL8546647 | 0.82 | — | — | |
| Methylene Chloride SCHEMBL1332597 | 0.82 | — | — | |
| Methylene Chloride SCHEMBL7293016 | 0.82 | — | — | |
| Methylene Chloride SCHEMBL493 | 0.82 | — | — | |
| Methylene Chloride SCHEMBL17459938 | 0.77 | — | — | |
| Methylene Chloride SCHEMBL20919933 | 0.77 | — | — | |
| Methylene Chloride SCHEMBL37645 | 0.73 | — | — | |
| Methylene Chloride SCHEMBL7299292 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-108137561-A | Indolin-2-one derivative | 豪夫迈·罗氏有限公司 | 2018-06-08 | — | — | CN | disclosed |
| US-7601750-B2 | Small molecule inhibition of a PDZ-domain interaction | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2009-10-13 | — | — | US | disclosed |
| US-20080021082-A1 | Small molecule inhibition of a PDZ-domain interaction | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2008-01-24 | — | — | US | disclosed |
| US-7141600-B2 | Small molecule inhibition of a PDZ-domain interaction | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2006-11-28 | — | — | US | disclosed |
| US-20050043385-A1 | Small molecule inhibition of a PDZ-domain interaction | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2005-02-24 | — | — | US | disclosed |
| WO-2004092346-A2 | SMALL MOLECULE INHIBITION OF A PDZ-DOMAIN INTERACTION | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2004-10-28 | — | — | WO | disclosed |