⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7950065 | 0.92 | — | — | |
| SCHEMBL7418396 | 0.90 | — | — | |
| SCHEMBL7957481 | 0.89 | — | — | |
| SCHEMBL7964294 | 0.89 | — | — | |
| SCHEMBL7964539 | 0.88 | — | — | |
| SCHEMBL7418612 | 0.88 | ESR1 (0.63) | — | |
| SCHEMBL7964428 | 0.87 | — | — | |
| SCHEMBL7958267 | 0.85 | — | — | |
| SCHEMBL7949859 | 0.83 | — | — | |
| SCHEMBL7949784 | 0.82 | POLB (0.59) | — |
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-5639760-A | USEFUL AS MUSCLE RELAXANTS, SEDATIVES, ANXIOLYTICS, ANTICONVULSANTS, AND ANTIDOTES FOR DRUG OVERDOSE | MARYANOFF BRUCE E (US) | 1997-06-17 | — | — | US | claimed |
| US-6218384-B1 | FOR THERAPY OF ANXIETY, MUSCLE SPASMS, SLEEPLESSNESS, CONVULSIONS AND BENZODIAZEPINE OVERDOSES | ORTHO-MCNEIL PHARMACEUTICAL, INC. | 2001-04-17 | — | — | US | disclosed |
| US-5639760-A | USEFUL AS MUSCLE RELAXANTS, SEDATIVES, ANXIOLYTICS, ANTICONVULSANTS, AND ANTIDOTES FOR DRUG OVERDOSE | MARYANOFF BRUCE E (US) | 1997-06-17 | — | — | US | disclosed |