⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3643538 | 0.77 | — | — | |
| SCHEMBL15795645 | 0.77 | — | — | |
| SCHEMBL24753712 | 0.76 | — | — | |
| SCHEMBL19593490 | 0.76 | — | — | |
| SCHEMBL20633853 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL9985810 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL7399125 | 0.74 | — | — | |
| SCHEMBL12661556 | 0.72 | TAAR1 (0.36) | — | |
| SCHEMBL94675 | 0.72 | — | — | |
| SCHEMBL6239009 | 0.72 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4421566-A | FROM HIGH AMYLOSE STARCH | NATIONAL STARCH AND CHEMICAL CORPORATION (US) | 1983-12-20 | — | — | US | claimed |
| US-9302988-B2 | Fluoromethyl-substituted pyrrole carboxamides | Grünenthal GmbH (DE) | 2016-04-05 | — | — | US | disclosed |
| US-8771964-B2 | Compositions and methods for detection of methadone metabolite | SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) | 2014-07-08 | — | — | US | disclosed |
| US-20140066426-A1 | FLUOROMETHYL-SUBSTITUTED PYRROLE CARBOXAMIDES | GRUENENTHAL GMBH (DE) | 2014-03-06 | — | — | US | disclosed |
| US-4421566-A | FROM HIGH AMYLOSE STARCH | NATIONAL STARCH AND CHEMICAL CORPORATION (US) | 1983-12-20 | — | — | US | disclosed |