⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6835470 | 0.80 | — | — | |
| SCHEMBL19257646 | 0.64 | — | — | |
| SCHEMBL19257658 | 0.64 | — | — | |
| SCHEMBL2906775 | 0.61 | PARP1 (0.34) | — | |
| SCHEMBL2712442 | 0.61 | PARP1 (0.34) | — | |
| SCHEMBL19255876 | 0.61 | PARP1 (0.34) | — | |
| SCHEMBL5271302 | 0.60 | ALDH1A1 (0.35) | — | |
| Hydrochloric Acid SCHEMBL28060430 | 0.60 | PARP1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL14675869 | 0.60 | PARP1 (0.33) | — | |
| SCHEMBL29259125 | 0.58 | PKM (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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0157963-B1 | 6H-DIBENZ (B,E)(1,4)OXATHIEPIN COMPOUNDS | MERCK & CO. INC. (US) | 1989-06-21 | — | — | EP | disclosed |
| EP-0138533-B1 | 6H-DIBENZ(B,F)THIEPIN COMPOUNDS | MERCK FROSST CANADA INC. (CA) | 1989-04-12 | — | — | EP | disclosed |
| US-4699917-A | Anti-asthmatic tetrazolyl 6H-dibenz-[B,E]-[1,4]-oxathiepin derivatives, compositions, and method of use therefor | MERCK & CO., INC. (US) | 1987-10-13 | — | — | US | disclosed |
| EP-0069810-B1 | NOVEL DIBENZOXEPINS, THEIR PREPARATION, COMPOSITIONS CONTAINING THEM AND THE USE OF DIBENZOXEPINS IN THE TREATMENT OF ALLERGIC CONDITIONS | MERCK & CO. INC. (US) | 1986-12-03 | — | — | EP | disclosed |
| US-4622403-A | ALLERGIC CONDITIONS | MERCK FROSST CANADA, INC. (CA) | 1986-11-11 | — | — | US | disclosed |
| US-4582842-A | Anti-asthmatic 6H-dibenz-[b,e] [1,4]oxathiepin derivatives, compositions, and method of use therefor | MERCK & CO., INC. (US) | 1986-04-15 | — | — | US | disclosed |
| US-4536507-A | ANTIASTHMA AGENTS | MERCK & CO., INC. (US) | 1985-08-20 | — | — | US | disclosed |
| EP-0138533-A2 | 6H-dibenz(b,f)thiepin compounds | MERCK FROSST CANADA INC. (CA) | 1985-04-24 | — | — | EP | disclosed |
| US-4394515-A | 10,11-Dihydro-11-oxodibenzo[b,f]thiepin compounds | MERCK & CO., INC. (US) | 1983-07-19 | — | — | US | disclosed |
| EP-0069810-A1 | Novel dibenzoxepins, their preparation, compositions containing them and the use of dibenzoxepins in the treatment of allergic conditions | MERCK & CO. INC. (US) | 1983-01-19 | — | — | EP | disclosed |
| EP-0000978-B1 | 7-AND 8-SUBSTITUTED -10,11-DIHYDRO-11-OXODIBENZO (B,F) THIEPIN DERIVATIVES, THEIR PRODUCTION AND THEIR PARMACEUTICAL COMPOSITIONS | MERCK & CO. INC. (US) | 1982-09-15 | — | — | EP | disclosed |
| EP-0011067-B1 | PROSTAGLANDIN ANTAGONISTS, THEIR PRODUCTION AND THEIR PHARMACEUTICAL COMPOSITIONS | MERCK & CO. INC. (US) | 1982-04-21 | — | — | EP | disclosed |
| US-4282365-A | Dibenz[b,e]oxepin compounds | MERCK & CO., INC. (US) | 1981-08-04 | — | — | US | disclosed |
| US-4263207-A | ANTIALLERGENS | MERCK & CO., INC. (US) | 1981-04-21 | — | — | US | disclosed |