⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25557373 | 0.85 | — | — | |
| SCHEMBL12487354 | 0.79 | — | — | |
| SCHEMBL24110438 | 0.74 | — | — | |
| SCHEMBL4106076 | 0.74 | GRIN2D (0.32) | — | |
| SCHEMBL105395 | 0.74 | CYP2B6 (0.30) | — | |
| SCHEMBL19592020 | 0.74 | EPHX2 (0.31) | — | |
| SCHEMBL9920487 | 0.73 | CYP2B6 (0.33) | — | |
| SCHEMBL26379232 | 0.71 | POLB (0.36) | — | |
| SCHEMBL22343724 | 0.70 | ALDH1A1 (0.33) | — | |
| SCHEMBL23298822 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3571208-B1 | IMMUNOPROTEASOME INHIBITORS | PRINCIPIA BIOPHARMA INC (US) | 2021-03-10 | — | — | EP | disclosed |
| US-20170160252-A1 | CHEMICAL SELF-DOPING OF ONE-DIMENSIONAL ORGANIC NANOMATERIALS FOR HIGH CONDUCTIVITY APPLICATION IN CHEMIRSISTIVE SENSING GAS OR VAPOR | UNIVERSITY OF UTAH | 2017-06-08 | — | — | US | disclosed |