⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20699863 | 0.74 | CA2 (0.38) | — | |
| SCHEMBL777994 | 0.72 | — | — | |
| SCHEMBL700464 | 0.70 | — | — | |
| Phosphoric Acid SCHEMBL5963790 | 0.70 | CA2 (0.50) | — | |
| Butanedione SCHEMBL222007 | 0.67 | TSHR (0.64) | — | |
| SCHEMBL444175 | 0.67 | — | — | |
| SCHEMBL4191596 | 0.67 | CA2 (0.46) | — | |
| SCHEMBL2215479 | 0.67 | — | — | |
| Butanedione SCHEMBL9294413 | 0.64 | TSHR (0.58) | — | |
| SCHEMBL1021881 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-11239480-A | — | — | None | — | — | JP | disclosed |
| JP-H11239480-A | RECOMBINANT DNA CONNECTING DNA ENCODING PRENYL 2-PHOSPHORIC ACID SYNTHASE AND PRODUCTION OF PRENYL 2-PHOSPHORIC ACID SYNTHASE | TOYOTA CENTRAL RES & DEV LAB INC | 1999-09-07 | — | — | JP | disclosed |