⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7905465 | 0.89 | SIGMAR1 (0.32) | — | |
| SCHEMBL8844599 | 0.87 | — | — | |
| SCHEMBL8845010 | 0.83 | — | — | |
| SCHEMBL8844131 | 0.83 | — | — | |
| SCHEMBL8844143 | 0.82 | — | — | |
| SCHEMBL7477848 | 0.82 | MEN1 (0.30) | — | |
| SCHEMBL7471175 | 0.80 | — | — | |
| SCHEMBL8844216 | 0.78 | — | — | |
| SCHEMBL8844255 | 0.77 | ADRA2A (0.30) | — | |
| SCHEMBL8844986 | 0.75 | SIGMAR1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0538297-B9 | ANTIVIRAL TETRAHYDROIMIDAZO 1,4]BENZODIAZEPIN-2-(THIO)ONES | JANSSEN PHARMACEUTICA NV (BE) | 2002-10-16 | — | — | EP | disclosed |
| EP-0538297-B1 | ANTIVIRAL TETRAHYDROIMIDAZO 1,4]BENZODIAZEPIN-2-(THIO)ONES | JANSSEN PHARMACEUTICA NV (BE) | 2001-09-19 | — | — | EP | disclosed |
| US-6201119-B1 | 2,3,4,5-TETRAHYDRO-1H-1,4-BENZODIAZEPIN-9-AMINE COMPOUNDS USEFUL AS INTERMEDIATES TO ANTIVIRALS | JANSSEN PHARMACEUTICA N.V. (BE) | 2001-03-13 | — | — | US | disclosed |
| US-5371079-A | Administering to inhibit replication of HIV-1 in human cells | JANSSEN PHARMACEUTICA N.V. (BE) | 1994-12-06 | — | — | US | disclosed |
| US-5270464-A | Anti-HIV-1 tetrahydroimidazo[1,4]benzodiazepin-2-(thi) ones | JANSSEN PHARMACEUTICA N.V. (BE) | 1993-12-14 | — | — | US | disclosed |