⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8193902 | 0.86 | — | — | |
| SCHEMBL8146532 | 0.84 | ALDH1A1 (0.54) | — | |
| SCHEMBL3652708 | 0.79 | — | — | |
| SCHEMBL11060991 | 0.79 | ALDH1A1 (0.61) | — | |
| SCHEMBL7094868 | 0.79 | ALDH1A1 (0.67) | — | |
| SCHEMBL270296 | 0.77 | — | — | |
| SCHEMBL7093157 | 0.77 | ALDH1A1 (0.70) | — | |
| SCHEMBL1532367 | 0.75 | — | — | |
| SCHEMBL3989569 | 0.75 | — | — | |
| SCHEMBL5326204 | 0.75 | — | — |
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-6117873-A | CAN BE USED FOR THE TREATMENT OF PATHOLOGICAL CONDITIONS WHICH RESPOND TO BLOCKAGE OF EXCITATORY AMINO ACID RECEPTORS | NOVARTIS AG (CH) | 2000-09-12 | — | — | US | disclosed |
| EP-0934326-A1 | SUBSTITUTED AMINOALKANE PHOSPHONIC ACIDS | Novartis AG (CH) | 1999-08-11 | — | — | EP | disclosed |
| WO-1998017672-A1 | SUBSTITUTED AMINOALKANE PHOSPHONIC ACIDS | NOVARTIS AG (CH) | 1998-04-30 | — | — | WO | disclosed |