⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18498089 | 0.80 | CHRNB2 (0.72) | — | |
| SCHEMBL20245183 | 0.80 | CHRNB2 (0.42) | — | |
| SCHEMBL18231641 | 0.79 | CHRNB2 (0.48) | — | |
| SCHEMBL12683426 | 0.78 | CHRNB2 (0.57) | — | |
| SCHEMBL16472382 | 0.78 | CHRNB2 (0.57) | — | |
| SCHEMBL10005081 | 0.78 | — | — | |
| SCHEMBL14752967 | 0.78 | — | — | |
| SCHEMBL18697087 | 0.77 | EPHX1 (0.44) | — | |
| SCHEMBL1747846 | 0.76 | — | — | |
| SCHEMBL7954919 | 0.76 | — | — |
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-2025137329-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS | NEUPHARMA, INC (US) | 2025-06-26 | — | — | WO | disclosed |
| US-20220402950-A1 | SUBSTITUTED BENZIMIDAZOLES AS PAD4 INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY | 2022-12-22 | — | — | US | disclosed |
| WO-2017022861-A1 | SUBSTITUTED GUANIDINE DERIVATIVE | 宇部興産株式会社 | 2017-02-09 | — | — | WO | disclosed |