⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11801352 | 1.00 | — | — | |
| SCHEMBL8091441 | 0.97 | — | — | |
| SCHEMBL9474135 | 0.88 | ALDH1A1 (0.32) | — | |
| SCHEMBL11442346 | 0.87 | — | — | |
| SCHEMBL7689001 | 0.87 | — | — | |
| SCHEMBL7828551 | 0.86 | CES2 (0.46) | — | |
| SCHEMBL7839967 | 0.86 | CES2 (0.46) | — | |
| SCHEMBL3021125 | 0.86 | CES2 (0.46) | — | |
| SCHEMBL9474113 | 0.86 | — | — | |
| SCHEMBL7839360 | 0.86 | CES2 (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6048989-A | PARASITICIDES AND ANTIBROTOZOA AGENTS | WASHINGTON UNIVERSITY (US) | 2000-04-11 | — | — | US | disclosed |
| US-6001869-A | CONTACTING THE PARASITE WITH 2-THIENYL-UNDECENOIC ACID/10-/ | WASHINGTON UNIVERSITY (US) | 1999-12-14 | — | — | US | disclosed |