⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13508674 | 0.63 | — | — | |
| SCHEMBL11547186 | 0.62 | — | — | |
| SCHEMBL10066088 | 0.56 | — | — | |
| SCHEMBL16622395 | 0.46 | GSK3A (0.33) | — | |
| SCHEMBL10073387 | 0.46 | — | — | |
| SCHEMBL14283515 | 0.46 | — | — | |
| SCHEMBL14354886 | 0.46 | — | — | |
| SCHEMBL8670863 | 0.46 | — | — | |
| SCHEMBL14539412 | 0.43 | — | — | |
| SCHEMBL10076756 | 0.43 | — | — |
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-4152456-A | ANTIALLERGY, ANTIANAPHYLACTIC | AYERST, MCKENNA AND HARRISON LIMITED (CA) | 1979-05-01 | — | — | US | disclosed |
| US-4152457-A | ANTIALLERGY, ANTIANAPHYLACTIC | AYERST, MCKENNA AND HARRISON LIMITED (CA) | 1979-05-01 | — | — | US | disclosed |
| US-4110468-A | ANTIALLERGENS | AYERST, MCKENNA & HARRISON LIMITED (CA) | 1978-08-29 | — | — | US | disclosed |
| US-4066784-A | ANTIALLERGINS | AYERST, MCKENNA AND HARRISON LTD. (CA) | 1978-01-03 | — | — | US | disclosed |