⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17378645 | 0.77 | — | — | |
| SCHEMBL5343975 | 0.75 | ALDH1A1 (0.41) | — | |
| SCHEMBL3367028 | 0.74 | — | — | |
| SCHEMBL25529332 | 0.73 | — | — | |
| SCHEMBL14905699 | 0.72 | — | — | |
| SCHEMBL10636651 | 0.72 | TSHR (0.45) | — | |
| SCHEMBL1007664 | 0.70 | — | — | |
| SCHEMBL20558202 | 0.70 | CHRM2 (0.39) | — | |
| SCHEMBL11122144 | 0.69 | SLC22A6 (0.30) | — | |
| SCHEMBL7774988 | 0.69 | ALDH1A1 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5488140-A | ANTICONVULSANTS | CIBA-GEIGY CORPORATION (US) | 1996-01-30 | — | — | US | disclosed |
| EP-0420806-B1 | Phosphonic acids, process for preparation and use as an active pharmaceutical composition | CIBA GEIGY AG (CH) | 1995-07-05 | — | — | EP | disclosed |
| US-5294734-A | 1-phosphato-4-amino-pent-2-enoic acids and derivatives | CIBA-GEIGY CORP. (US) | 1994-03-15 | — | — | US | disclosed |
| EP-0420806-A1 | Phosphonic acids, process for preparation and use as an active pharmaceutical composition | CIBA-GEIGY AG (CH) | 1991-04-03 | — | — | EP | disclosed |