⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20459286 | 0.83 | — | — | |
| SCHEMBL30713436 | 0.82 | — | — | |
| SCHEMBL3973508 | 0.78 | ALOX15 (0.60) | — | |
| SCHEMBL2803853 | 0.76 | GNAI3 (0.50) | — | |
| Hydrochloric Acid SCHEMBL3673025 | 0.76 | ALOX15 (0.57) | — | |
| SCHEMBL25150263 | 0.74 | — | — | |
| SCHEMBL14890554 | 0.74 | NCF1 (0.56) | — | |
| SCHEMBL22047558 | 0.74 | — | — | |
| SCHEMBL684220 | 0.74 | — | — | |
| SCHEMBL23568412 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3675858-B1 | IMIDAZO[1,5-A]PYRAZINE COMPOUNDS AND COMPOSITIONS FOR IRE1 INHIBITION | OPTIKIRA LLC (US) | 2023-04-26 | — | — | EP | disclosed |
| US-20200031811-A1 | SUBSTITUTED MONO- AND POLYAZANAPHTHALENE DERIVATIVES AND THEIR USE | BASILEA PHARM INT AG (CH) | 2020-01-30 | — | — | US | disclosed |
| EP-0906969-A1 | Procces and composition for inhibiting corrosion | Degussa Aktiengesellschaft (DE) | 1999-04-07 | — | — | EP | disclosed |