⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1075008 | 0.93 | — | — | |
| SCHEMBL2701190 | 0.89 | TP53 (0.31) | — | |
| SCHEMBL3469993 | 0.88 | TP53 (0.33) | — | |
| SCHEMBL5083519 | 0.83 | — | — | |
| SCHEMBL1075009 | 0.82 | — | — | |
| SCHEMBL6702399 | 0.80 | TP53 (0.30) | — | |
| Pyrophosphoric Acid SCHEMBL28484906 | 0.79 | — | — | |
| SCHEMBL7107603 | 0.78 | LMNA (0.34) | — | |
| SCHEMBL262807 | 0.78 | TRPV1 (0.32) | — | |
| SCHEMBL313324 | 0.76 | TRPV1 (0.32) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2450388-A1 | POLYLACTIC ACID RESIN, METHOD FOR PRODUCING POLYLACTIC ACID RESIN, POLYLACTIC ACID RESIN COMPOSITION, STEREOCOMPLEX POLYLACTIC ACID RESIN COMPOSITION, AND METHOD FOR PRODUCING STEREOCOMPLEX POLYLACTIC ACID RESIN COMPOSITION | Mitsui Chemicals, Inc. (JP) | 2012-05-09 | — | — | EP | disclosed |