⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20032045 | 0.93 | DNM1 (0.31) | — | |
| SCHEMBL19214818 | 0.77 | LMNA (0.32) | — | |
| SCHEMBL18158102 | 0.73 | — | — | |
| SCHEMBL20032095 | 0.73 | CA12 (0.35) | — | |
| SCHEMBL20032039 | 0.73 | DNM1 (0.35) | — | |
| SCHEMBL20032065 | 0.71 | DNM1 (0.38) | — | |
| SCHEMBL19214727 | 0.70 | DNM1 (0.44) | — | |
| SCHEMBL20661491 | 0.69 | DNM1 (0.32) | — | |
| SCHEMBL18158097 | 0.68 | ALDH1A1 (0.30) | — | |
| SCHEMBL15558978 | 0.67 | DNM1 (0.48) | — |
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-20180094086-A1 | NEAR INFRARED ABSORBING COMPOSITION, NEAR INFRARED CUT FILTER, METHOD OF MANUFACTURING NEAR INFRARED CUT FILTER, DEVICE, METHOD OF MANUFACTURING COPPER-CONTAINING POLYMER, AND COPPER-CONTAINING POLYMER | FUJIFILM CORPORATION (JP) | 2018-04-05 | — | — | US | disclosed |