⚠ 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 SCHEMBL28946025 | 0.79 | — | — | |
| Phosphonic Acid SCHEMBL28945999 | 0.78 | — | — | |
| Phosphonic Acid SCHEMBL1768257 | 0.76 | ALDH1A1 (0.33) | — | |
| Phosphonic Acid SCHEMBL28946040 | 0.76 | — | — | |
| Phosphonic Acid SCHEMBL8445453 | 0.76 | ALDH1A1 (0.33) | — | |
| Phosphonic Acid SCHEMBL3793734 | 0.76 | ALDH1A1 (0.33) | — | |
| Phosphonic Acid SCHEMBL7230 | 0.76 | — | — | |
| SCHEMBL4627995 | 0.76 | — | — | |
| Phosphonic Acid SCHEMBL317316 | 0.72 | ALDH1A1 (0.55) | — | |
| Butane SCHEMBL11209036 | 0.72 | CES2 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-115667403-A | Light-transmitting resin composition for laser welding, molded article, composition combination, and method for producing molded article | 三菱工程塑料株式会社 | 2023-01-31 | — | — | CN | disclosed |