⚠ 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 | 0.82 | SIGMAR1 (0.32) | — | |
| SCHEMBL8844184 | 0.81 | TDP1 (0.31) | — | |
| SCHEMBL8844255 | 0.80 | ADRA2A (0.30) | — | |
| SCHEMBL8845010 | 0.79 | — | — | |
| SCHEMBL8844131 | 0.79 | — | — | |
| SCHEMBL7475113 | 0.78 | — | — | |
| SCHEMBL8844143 | 0.76 | — | — | |
| SCHEMBL7471175 | 0.76 | — | — | |
| SCHEMBL8844177 | 0.66 | SLC6A2 (0.33) | — | |
| Hydrochloric Acid SCHEMBL8845003 | 0.65 | HTR1A (0.31) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5599982-A | Process for preparing enantiomerically pure imidazo[4,5,1-JK][1,4]-benzodiazepin-2(1H)-thiones | JANSSEN PHARMACEUTICA N.V. (BE) | 1997-02-04 | — | — | US | disclosed |
| US-5543570-A | Intermediates for preparing enantiomerically pure imidazo[4,5,1-JK][1,4]-benzodiazepin-2-(1H)-thiones | JANSSEN PHARMACEUTICA N.V. (BE) | 1996-08-06 | — | — | US | disclosed |
| US-5463049-A | Process for preparing enantiomerically pure imidazo[4,5,1-JK][1,4]-benzodiazepin-2(1H)-thiones | JANSSEN PHARMACEUTICA N.V. (BE) | 1995-10-31 | — | — | US | disclosed |
| EP-0534539-A1 | Process for preparing enantiomerically pure imidazo[4,5,1-jk]-[1,4]-benzodiazepin-2(1H)-thiones | JANSSEN PHARMACEUTICA N.V. (BE) | 1993-03-31 | — | — | EP | disclosed |