⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12481017 | 0.92 | — | — | |
| SCHEMBL12481015 | 0.92 | — | — | |
| SCHEMBL4428512 | 0.74 | — | — | |
| SCHEMBL4428513 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL8688919 | 0.71 | HTT (0.30) | — | |
| Water SCHEMBL8690923 | 0.71 | HTT (0.30) | — | |
| SCHEMBL3537101 | 0.67 | — | — | |
| SCHEMBL8688758 | 0.65 | ALDH1A1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL4701756 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL3963500 | 0.65 | — | — |
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-3204360-A1 | THERAPEUTIC COMPOUNDS AND USES THEREOF | Genentech, Inc. (US) | 2017-08-16 | — | — | EP | disclosed |
| WO-2016055028-A1 | THERAPEUTIC COMPOUNDS AND USES THEREOF | GENENTECH, INC. (US) | 2016-04-14 | — | — | WO | disclosed |
| EP-1399424-B8 | METHOD FOR PREPARATION OF 10,11-DIHYDRO-10-HYDROXY-5H-DIBENZ/B,F/AZEPINE-5-CARBOXAMIDE AND 10,11-DIHYDRO-10-0X0-5H-DIBENZ/B,F/AZEPINE-5-CARBOXAMIDE | BIAL PORTELA & CA SA (PT) | 2008-10-01 | — | — | EP | disclosed |
| EP-1399424-A1 | METHOD FOR PREPARATION OF 10,11-DIHYDRO-10-HYDROXY-5H-DIBENZ/B,F/AZEPINE-5-CARBOXAMIDE AND 10,11-DIHYDRO-10-0X0-5H-DIBENZ/B,F/AZEPINE-5-CARBOXAMIDE | Portela & CA SA (PT) | 2004-03-24 | — | — | EP | disclosed |
| WO-2002096881-A1 | METHOD FOR PREPARATION OF 10,11-DIHYDRO-10-HYDROXY-5H-DIBENZ/B,F/AZEPINE-5-CARBOXAMIDE AND 10,11-DIHYDRO-10-0X0-5H-DIBENZ/B,F/AZEPINE-5-CARBOXAMIDE | PORTELA & CA SA (PT) | 2002-12-05 | — | — | WO | disclosed |