⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18462028 | 0.75 | — | — | |
| SCHEMBL278902 | 0.72 | — | — | |
| SCHEMBL3183074 | 0.54 | — | — | |
| SCHEMBL800202 | 0.53 | — | — | |
| SCHEMBL49945 | 0.53 | — | — | |
| SCHEMBL11413834 | 0.53 | — | — | |
| SCHEMBL15362473 | 0.50 | — | — | |
| SCHEMBL800245 | 0.50 | — | — | |
| SCHEMBL14210985 | 0.50 | — | — | |
| Phosphine SCHEMBL9007695 | 0.47 | — | — |
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-20140170140-A1 | COMPOSITIONS AND METHODS FOR THE TREATMENT OF NEUROMYELITIS OPTICA | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA, A CALIFORNIA CORPORATION (US) | 2014-06-19 | — | — | US | disclosed |
| US-8445472-B2 | TGR5 modulators and methods of use thereof | INTERCEPT PHARMACEUTICALS, INC. (US) | 2013-05-21 | — | — | US | disclosed |