⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3603565 | 1.00 | — | — | |
| SCHEMBL13381508 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL22771725 | 0.96 | — | — | |
| Hydrochloric Acid SCHEMBL22771726 | 0.96 | — | — | |
| SCHEMBL5310558 | 0.74 | — | — | |
| SCHEMBL10338736 | 0.74 | — | — | |
| SCHEMBL10338735 | 0.74 | — | — | |
| SCHEMBL8200426 | 0.74 | — | — | |
| SCHEMBL5310560 | 0.74 | — | — | |
| SCHEMBL20860698 | 0.72 | — | — |
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-2418213-B1 | NEUROMEDIN U DERIVATIVE | TAKEDA PHARMACEUTICAL (JP) | 2014-11-19 | — | — | EP | disclosed |
| US-8217176-B2 | Fused heterocyclic derivative and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-07-10 | — | — | US | disclosed |
| US-20090227561-A1 | FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-09-10 | — | — | US | disclosed |
| EP-0982293-A1 | Process for the preparation of imines and enamines, and possibly their further hydrogenation into amines | BASF AKTIENGESELLSCHAFT (DE) | 2000-03-01 | — | — | EP | disclosed |
| WO-1993019054-A1 | N-HETEROCYCLIC NITRO ANILINES AS FUNGICIDES | DOWELANCO (US) | 1993-09-30 | — | — | WO | disclosed |