⚠ 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 | |
|---|---|---|---|---|
| Phosphonic Acid SCHEMBL3380653 | 0.84 | CA12 (0.38) | — | |
| SCHEMBL3381168 | 0.73 | — | — | |
| SCHEMBL3379019 | 0.72 | — | — | |
| SCHEMBL3380019 | 0.72 | — | — | |
| SCHEMBL4031294 | 0.72 | CA12 (0.41) | — | |
| SCHEMBL22224085 | 0.69 | — | — | |
| SCHEMBL13116801 | 0.69 | — | — | |
| SCHEMBL28443291 | 0.67 | — | — | |
| SCHEMBL14237010 | 0.65 | CA12 (0.35) | — | |
| SCHEMBL14577017 | 0.63 | LMNA (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 |
|---|---|---|---|---|---|---|---|
| WO-2010017405-A1 | METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN | HELLER ADAM (US) | 2010-02-11 | — | — | WO | claimed |
| WO-2010017405-A1 | METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN | HELLER ADAM (US) | 2010-02-11 | — | — | WO | disclosed |