⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL3472977 | 0.99 | — | — | |
| SCHEMBL3470220 | 0.95 | — | — | |
| SCHEMBL3470407 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL3470957 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL7040204 | 0.94 | — | — | |
| SCHEMBL7698420 | 0.84 | — | — | |
| SCHEMBL11997019 | 0.84 | — | — | |
| SCHEMBL3471362 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL3471759 | 0.83 | — | — | |
| SCHEMBL3470828 | 0.83 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010134939-A2 | MAMMALIAN GENES INVOLVED IN INFECTION | Zirus, Inc. (US) | 2010-11-25 | — | — | WO | disclosed |
| US-20030114445-A1 | N3-substituted 6-anilinopyrimidines and methods to treat-Gram-positive bacterial and mycoplasmal infections | NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR | 2003-06-19 | — | — | US | disclosed |
| US-20030114414-A1 | Methods for synthesizing substituted pyrimidines | NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR | 2003-06-19 | — | — | US | disclosed |
| WO-2003011297-A1 | N3-SUBSTITUTED 6-ANILINOPYRIMIDINES AND METHODS TO TREAT GRAM-POSITIVE BACTERIAL AND MYCOPLASMAL INFECTIONS | UNIVERSITY OF MASSACHUSETTS (US) | 2003-02-13 | — | — | WO | disclosed |
| WO-2002102769-A2 | METHODS FOR SYNTHESIZING SUBSTITUTED PYRIMIDINES | UNIVERSITY OF MASSACHUSETTS (US) | 2002-12-27 | — | — | WO | disclosed |