⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10996303 | 0.91 | — | — | |
| SCHEMBL10583900 | 0.91 | — | — | |
| SCHEMBL7735578 | 0.91 | — | — | |
| SCHEMBL18187185 | 0.91 | — | — | |
| SCHEMBL18187078 | 0.91 | — | — | |
| SCHEMBL18187089 | 0.91 | — | — | |
| SCHEMBL1168334 | 0.91 | — | — | |
| SCHEMBL18188042 | 0.91 | — | — | |
| SCHEMBL18187385 | 0.91 | — | — | |
| SCHEMBL8335757 | 0.91 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8940392-B2 | Titanium based inorganic-organic hybrid solid material, method for preparing same and uses thereof | UNIVERSITE PIERRE ET MARIE CURIE (PARIS 6) (FR) | 2015-01-27 | — | — | US | disclosed |
| US-20120121904-A1 | TITANIUM BASED INORGANIC-ORGANIC HYBRID SOLID MATERIAL, METHOD FOR PREPARING SAME AND USES THEREOF | L'UNIVERSITE PIERRE ET MARIE CURIE, (PARIS 6) (FR) | 2012-05-17 | — | — | US | disclosed |