⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1537342 | 0.85 | — | — | |
| Hydrochloric Acid SCHEMBL6096892 | 0.83 | GNAI3 (0.59) | — | |
| Bromide SCHEMBL28768421 | 0.83 | GNAI3 (0.53) | — | |
| Fluoride SCHEMBL27708727 | 0.83 | GNAI3 (0.53) | — | |
| SCHEMBL4723776 | 0.82 | — | — | |
| Ethylamine SCHEMBL10890178 | 0.79 | GNAI3 (0.50) | — | |
| SCHEMBL4723883 | 0.79 | GNAI3 (0.65) | — | |
| SCHEMBL4720265 | 0.72 | — | — | |
| SCHEMBL27750507 | 0.71 | — | — | |
| SCHEMBL2357618 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3267794-B1 | BIARYLTRIAZOLE INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR | UNIV YALE (US) | 2020-09-09 | — | — | EP | disclosed |
| US-20080176857-A1 | 4-Piperazinnylthieno[2,3-d]Pyrimidine Compounds as Platelet Aggregation Inhibitors | PFIZER INC. | 2008-07-24 | — | — | US | disclosed |
| EP-1874780-A1 | 4-PIPERAZINYLTHIENO[2,3-D]PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS | Pharmacia & Upjohn Company LLC (US) | 2008-01-09 | — | — | EP | disclosed |
| WO-2006100591-A1 | 4-PIPERAZINNYLTHIENO [2,3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS | PHARMACIA & UPJOHN COMPANY LLC (US) | 2006-09-28 | — | — | WO | disclosed |