⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11174496 | 0.81 | CA12 (0.32) | — | |
| SCHEMBL14348264 | 0.80 | — | — | |
| SCHEMBL4140516 | 0.78 | THRA (0.31) | — | |
| SCHEMBL4139349 | 0.76 | ALDH1A1 (0.42) | — | |
| SCHEMBL484043 | 0.75 | CA1 (0.31) | — | |
| SCHEMBL11170833 | 0.74 | ALDH1A1 (0.31) | — | |
| SCHEMBL5292690 | 0.74 | — | — | |
| SCHEMBL4131881 | 0.72 | PKM (0.46) | — | |
| SCHEMBL2349296 | 0.69 | KMT2A (0.34) | — | |
| SCHEMBL11564130 | 0.68 | CA2 (0.46) | — |
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-20090068569-A1 | Resin composition for hologram recording material, hologram recording material, and method for producing hologram recording medium | NIPPON PAINT CO., LTD. | 2009-03-12 | — | — | US | disclosed |