⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8763983 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL10881201 | 0.98 | CHRM1 (0.39) | — | |
| SCHEMBL14019470 | 0.93 | — | — | |
| SCHEMBL3822084 | 0.93 | — | — | |
| SCHEMBL3374415 | 0.78 | — | — | |
| SCHEMBL88583 | 0.76 | — | — | |
| SCHEMBL14087966 | 0.76 | — | — | |
| SCHEMBL12018255 | 0.76 | — | — | |
| SCHEMBL18967338 | 0.74 | CHRM1 (0.45) | — | |
| SCHEMBL23844627 | 0.73 | CHRM1 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021158840-A1 | MACROCYCLIC PAD4 INHIBITORS USEFUL AS IMMUNOSUPPRESSANT | BRISTOL-MYERS SQUIBB COMPANY (US) | 2021-08-12 | — | — | WO | disclosed |
| US-7442795-B2 | Triazole compounds useful in therapy | PFIZER INC. (US) | 2008-10-28 | — | — | US | disclosed |