⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19395850 | 0.79 | — | — | |
| SCHEMBL19395894 | 0.75 | CA1 (0.33) | — | |
| SCHEMBL27293282 | 0.74 | — | — | |
| SCHEMBL3907416 | 0.74 | — | — | |
| SCHEMBL19395931 | 0.74 | — | — | |
| SCHEMBL19395735 | 0.74 | ALDH1A1 (0.32) | — | |
| SCHEMBL29131107 | 0.72 | — | — | |
| SCHEMBL15599999 | 0.72 | ALDH1A1 (0.37) | — | |
| SCHEMBL19395815 | 0.71 | TP53 (0.38) | — | |
| SCHEMBL10881607 | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5567840-A | AS 4-AMINOBUTYRIC ACID AGONIST; MUSCLE RELAXANTS | CIBA-GEIGY CORPORATION (US) | 1996-10-22 | — | — | US | disclosed |
| US-5461040-A | Therapy of spinal spacticity, multiple sclerosis, cerebral palsy, trigeminus neuralgia, drug withdrawal, pain | CIBA-GEIGY CORPORATION (US) | 1995-10-24 | — | — | US | disclosed |
| EP-0399949-B1 | Substituted aminoalkylphosphinic acids | CIBA GEIGY AG (CH) | 1995-04-12 | — | — | EP | disclosed |
| US-5281747-A | Pharmaceuticals | CIBA-GEIGY CORPORATION (US) | 1994-01-25 | — | — | US | disclosed |
| EP-0399949-A1 | Substituted aminoalkylphosphinic acids | CIBA-GEIGY AG (CH) | 1990-11-28 | — | — | EP | disclosed |