⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2146824 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL9220419 | 0.96 | — | — | |
| Acetic Acid SCHEMBL5548279 | 0.85 | FFAR3 (0.39) | — | |
| SCHEMBL26027654 | 0.81 | CA12 (0.35) | — | |
| SCHEMBL2058066 | 0.79 | — | — | |
| SCHEMBL5925423 | 0.79 | — | — | |
| SCHEMBL7899624 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL27648111 | 0.76 | — | — | |
| Propane SCHEMBL9330716 | 0.76 | DNM1 (0.41) | — | |
| SCHEMBL6276387 | 0.74 | DNM1 (0.60) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-4819280-B2 | — | — | 2011-11-24 | — | — | JP | claimed |
| JP-2004500426-A | — | — | 2004-01-08 | — | — | JP | claimed |
| EP-1274411-A1 | PHENYLETHYLAMINES AND CONDENSED RINGS VARIANTS AS PRODRUGS OF CATECHOLAMINES, AND THEIR USE | Axon Biochemicals B.V. (NL) | 2003-01-15 | — | — | EP | claimed |
| WO-2001078713-A1 | PHENYLETHYLAMINES AND CONDENSED RINGS VARIANTS AS PRODRUGS OF CATECHOLAMINES, AND THEIR USE | AXON BIOCHEMICALS B.V. (NL) | 2001-10-25 | — | — | WO | claimed |
| EP-1274411-A1 | PHENYLETHYLAMINES AND CONDENSED RINGS VARIANTS AS PRODRUGS OF CATECHOLAMINES, AND THEIR USE | Axon Biochemicals B.V. (NL) | 2003-01-15 | — | — | EP | disclosed |
| WO-2001078713-A1 | PHENYLETHYLAMINES AND CONDENSED RINGS VARIANTS AS PRODRUGS OF CATECHOLAMINES, AND THEIR USE | AXON BIOCHEMICALS B.V. (NL) | 2001-10-25 | — | — | WO | disclosed |