⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1060683 | 0.75 | — | — | |
| SCHEMBL11002610 | 0.75 | — | — | |
| SCHEMBL10826 | 0.73 | TSHR (0.43) | — | |
| SCHEMBL20610131 | 0.73 | TSHR (0.30) | — | |
| SCHEMBL19837712 | 0.71 | — | — | |
| SCHEMBL7286281 | 0.71 | CA1 (0.30) | — | |
| SCHEMBL2342557 | 0.69 | — | — | |
| SCHEMBL8770825 | 0.69 | ALDH1A1 (0.33) | — | |
| SCHEMBL868743 | 0.69 | ALDH1A1 (0.30) | — | |
| SCHEMBL8535518 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20240166770-A1 | COMPOSITIONS AND METHODS FOR INHIBITION OF CELL-PENETRATING ANTIBODIES | YALE UNIVERSITY | 2024-05-23 | — | — | US | disclosed |
| EP-2497475-A1 | Treatment of laminitis with platelet aggregation inhibitors | Dussler, Sabine (DE) | 2012-09-12 | — | — | EP | disclosed |
| US-6297250-B1 | USEFUL FOR INHIBITING TRANSPORT OF NUCLEOSIDES OR PURINES ACROSS CELL MEMBRANES, THEREBY TO POTENTIATE THE ACTIVITY OF VARIOUS CYTOTOXIC ANTITUMOR DRUGS | NEWCASTLE UNIVERSITY VENTURES LIMITED (GB) | 2001-10-02 | — | — | US | disclosed |