⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13828909 | 0.88 | PRKCA (0.33) | — | |
| SCHEMBL12040245 | 0.84 | HMGCR (0.30) | — | |
| SCHEMBL18649745 | 0.83 | — | — | |
| SCHEMBL19266104 | 0.81 | — | — | |
| SCHEMBL17490953 | 0.81 | ALOX15 (0.37) | — | |
| SCHEMBL26488812 | 0.78 | — | — | |
| SCHEMBL18898476 | 0.77 | — | — | |
| SCHEMBL12157345 | 0.76 | — | — | |
| SCHEMBL2742237 | 0.76 | THRB (0.40) | — | |
| SCHEMBL6366939 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9916916-B2 | Conductive material and substrate | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2018-03-13 | — | — | US | disclosed |