⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17726978 | 0.81 | TSHR (0.32) | — | |
| SCHEMBL10661408 | 0.79 | MEN1 (0.30) | — | |
| SCHEMBL21794764 | 0.79 | — | — | |
| SCHEMBL9247666 | 0.77 | — | — | |
| SCHEMBL9302609 | 0.76 | — | — | |
| SCHEMBL8110371 | 0.74 | TSHR (0.37) | — | |
| SCHEMBL1275422 | 0.74 | LMNA (0.35) | — | |
| SCHEMBL5565307 | 0.73 | — | — | |
| SCHEMBL11749075 | 0.73 | RIPK1 (0.30) | — | |
| SCHEMBL9845111 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8764880-B2 | Phosphinic acids and their sulfur derivatives and methods for their preparation | CYTEC CANADA INC. (CA) | 2014-07-01 | — | — | US | disclosed |
| US-20090165598-A1 | NOVEL PHOSPHINIC ACIDS AND THEIR SULFUR DERIVATIVES AND METHODS FOR THEIR PREPARATION | CYTEC CANADA INC. (CA) | 2009-07-02 | — | — | US | disclosed |
| EP-0044972-A1 | Process for the preparation of compounds of 2-aryloxy-acrylic acid | BASF Aktiengesellschaft (DE) | 1982-02-03 | — | — | EP | disclosed |