⚠ 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 | |
|---|---|---|---|---|
| Methyl 4-Pyridylketone SCHEMBL16377114 | 1.00 | — | — | |
| SCHEMBL610553 | 0.78 | — | — | |
| SCHEMBL40731 | 0.77 | — | — | |
| SCHEMBL27553639 | 0.77 | NAPRT (0.50) | — | |
| SCHEMBL27908696 | 0.77 | NAPRT (0.50) | — | |
| SCHEMBL7559763 | 0.76 | NAPRT (0.44) | — | |
| Hydrochloric Acid SCHEMBL1734355 | 0.76 | NAPRT (0.44) | — | |
| SCHEMBL7559764 | 0.76 | NAPRT (0.44) | — | |
| SCHEMBL14346009 | 0.76 | NAPRT (0.44) | — | |
| SCHEMBL27568892 | 0.74 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9579381-B2 | Magnetodynamic activation of 13 C-acyl isoniazid and isoniazid and ethionamide derivatives | STC.UNM (US) | 2017-02-28 | — | — | US | disclosed |
| US-20150246126-A1 | MAGNETODYNAMIC ACTIVATION OF 13C-ACYL ISONIAZID AND ISONIAZID AND ETHIONAMIDE DERIVATIVES | THE REGENTS OF THE UNIVERSITY OF NEW MEXICO | 2015-09-03 | — | — | US | disclosed |
| US-8921569-B2 | Rationally improved isoniazid and ethionamide derivatives and activity through selective isotopic substitution | STC.UNM (US) | 2014-12-30 | — | — | US | disclosed |
| US-20130150415-A1 | RATIONALLY IMPROVED ISONIAZID AND ETHIONAMIDE DERIVATIVES AND ACTIVITY THROUGH SELECTIVE ISOTOPIC SUBSTITUTION | THE JOHN HOPKINS UNIVERSITY (US) | 2013-06-13 | — | — | US | disclosed |