⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3476316 | 0.88 | — | — | |
| SCHEMBL3476311 | 0.79 | CCR1 (0.37) | — | |
| SCHEMBL7698417 | 0.75 | UNG (0.52) | — | |
| SCHEMBL6773757 | 0.72 | UNG (0.47) | — | |
| Hydrochloric Acid SCHEMBL11506955 | 0.72 | DRD2 (0.51) | — | |
| SCHEMBL7037823 | 0.72 | — | — | |
| SCHEMBL11508308 | 0.69 | DRD2 (0.56) | — | |
| SCHEMBL11508526 | 0.69 | DRD2 (0.52) | — | |
| SCHEMBL11507328 | 0.69 | HTR7 (0.66) | — | |
| SCHEMBL11997019 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010134939-A2 | MAMMALIAN GENES INVOLVED IN INFECTION | Zirus, Inc. (US) | 2010-11-25 | — | — | WO | 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 |