⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8193737 | 0.86 | — | — | |
| SCHEMBL2030841 | 0.84 | TAAR1 (0.71) | — | |
| SCHEMBL6011843 | 0.79 | — | — | |
| SCHEMBL20135772 | 0.79 | TAAR1 (0.73) | — | |
| SCHEMBL20146704 | 0.79 | TAAR1 (0.73) | — | |
| SCHEMBL7116263 | 0.77 | TAAR1 (0.70) | — | |
| SCHEMBL8571535 | 0.77 | TAAR1 (0.70) | — | |
| SCHEMBL6734915 | 0.77 | TAAR1 (0.70) | — | |
| SCHEMBL268567 | 0.75 | — | — | |
| SCHEMBL72881 | 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 |