⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25630587 | 1.00 | — | — | |
| SCHEMBL22419341 | 1.00 | — | — | |
| SCHEMBL25630243 | 1.00 | — | — | |
| SCHEMBL19393301 | 1.00 | — | — | |
| SCHEMBL20080339 | 1.00 | — | — | |
| SCHEMBL24725825 | 1.00 | — | — | |
| SCHEMBL15479419 | 1.00 | — | — | |
| SCHEMBL11986784 | 0.87 | THRB (0.32) | — | |
| SCHEMBL18838932 | 0.82 | ALDH1A1 (0.31) | — | |
| SCHEMBL19416645 | 0.82 | ALDH1A1 (0.31) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9144579-B2 | Polyesters and methods of use thereof | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2015-09-29 | — | — | US | disclosed |
| US-20140050692-A1 | POLYESTERS AND METHODS OF USE THEREOF | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2014-02-20 | — | — | US | disclosed |
| US-8470956-B2 | Polycarbonate polyol compositions and methods | NOVOMER, INC. (US) | 2013-06-25 | — | — | US | disclosed |
| US-20130066044-A1 | POLYCARBONATE POLYOL COMPOSITIONS AND METHODS | NOVOMER, INC. (US) | 2013-03-14 | — | — | US | disclosed |