⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL140144 | 0.67 | PRKCZ (0.48) | — | |
| SCHEMBL31613470 | 0.67 | PRKCZ (0.48) | — | |
| SCHEMBL14856279 | 0.65 | PRKCZ (0.46) | — | |
| SCHEMBL28235047 | 0.65 | PRKCZ (0.46) | — | |
| SCHEMBL22650229 | 0.63 | MAOA (0.38) | — | |
| Benzene SCHEMBL27941073 | 0.62 | PRKCZ (0.45) | — | |
| SCHEMBL152013 | 0.62 | CYP19A1 (0.45) | — | |
| Naphthalene SCHEMBL7327012 | 0.61 | TNF (0.48) | — | |
| Isoquinoline SCHEMBL1536317 | 0.61 | TNF (0.48) | — | |
| Isoquinoline SCHEMBL31588723 | 0.61 | TNF (0.48) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024026128-A2 | TRICYCLIC ARYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF | ENSEM THERAPEUTICS, INC. (US) | 2024-02-01 | — | — | WO | disclosed |
| US-11053237-B2 | Process for the manufacture of 6-alkynyl-pyridine derivatives | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2021-07-06 | — | — | US | disclosed |
| WO-2018079862-A1 | MGLUR7 MODULATORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2018-05-03 | — | — | WO | disclosed |