⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9700627 | 0.79 | HRH3 (0.38) | — | |
| SCHEMBL9700447 | 0.79 | PTGDR2 (0.34) | — | |
| SCHEMBL9701354 | 0.77 | ADRA2A (0.41) | — | |
| SCHEMBL9701452 | 0.77 | ADRA2A (0.44) | — | |
| SCHEMBL9700451 | 0.77 | CNR1 (0.42) | — | |
| SCHEMBL9699053 | 0.77 | CASR (0.35) | — | |
| SCHEMBL9700258 | 0.76 | ADRA2A (0.46) | — | |
| SCHEMBL9701438 | 0.76 | — | — | |
| SCHEMBL9699255 | 0.75 | SLC6A4 (0.33) | — | |
| SCHEMBL9700339 | 0.75 | CNR1 (0.37) | — |
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-5112820-A | Vision defects | STERLING DRUG INC. (US) | 1992-05-12 | — | — | US | disclosed |
| US-5109135-A | 2- or 3-aminomethyl-4-amino-3,4-dihydro-2H-1,4-benzoxazine intermediates | STERLING DRUG INC. (US) | 1992-04-28 | — | — | US | disclosed |
| US-5066803-A | Chemical intermediates for analgesics | STERLING DRUG INC. (US) | 1991-11-19 | — | — | US | disclosed |
| WO-1990007505-A1 | 2- AND 3-AMINOMETHYL-6-ARYLCARBONYL-2,3-DIHYDROPYRROLO[1,2,3-de]-1,4-BENZOXAZINES | STERLING DRUG INC. (US) | 1990-07-12 | — | — | WO | disclosed |
| US-4939138-A | 2- and 3-aminomethyl-6-arylcarbonyl-2,3-dihydropyrrolo(1,2,3-DE)-1,4-benzoxazines | STERLING DRUG INC. (US) | 1990-07-03 | — | — | US | disclosed |