⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9035737 | 0.84 | EPHX2 (0.37) | — | |
| SCHEMBL7930805 | 0.84 | ALDH1A1 (0.37) | — | |
| SCHEMBL5418240 | 0.81 | ALDH1A1 (0.38) | — | |
| SCHEMBL4156486 | 0.79 | — | — | |
| SCHEMBL293933 | 0.79 | — | — | |
| SCHEMBL7320291 | 0.77 | — | — | |
| SCHEMBL8404568 | 0.77 | CA12 (0.36) | — | |
| SCHEMBL18699669 | 0.76 | — | — | |
| SCHEMBL8879309 | 0.76 | EPHX2 (0.53) | — | |
| SCHEMBL4146764 | 0.75 | ALDH1A1 (0.46) | — |
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-7160894-B2 | Antagonist of phosphorylation of myosin regulatory light chain, enzyme inhibitors; therapeutic treatment of glaucoma, bronchial asthma, chronic obstructive pulmonary disease, nervous system disorders; 4-(2,3-dihydro-1,5-diazaphenalen-1-yl)cyclohexylamine | ASAHI KASEI PHARMA CORPORATION (JP) | 2007-01-09 | — | — | US | disclosed |
| EP-1632492-A1 | TRICYCLIC COMPOUND | Asahi Kasei Pharma Corporation (JP) | 2006-03-08 | — | — | EP | disclosed |
| US-20050096310-A1 | Tricyclic compound | ASAHI KASEI PHARMA CORPORATION (JP) | 2005-05-05 | — | — | US | disclosed |