⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL182213 | 0.86 | — | — | |
| SCHEMBL693264 | 0.69 | — | — | |
| SCHEMBL343554 | 0.67 | — | — | |
| SCHEMBL343294 | 0.67 | — | — | |
| SCHEMBL2382858 | 0.65 | NOS3 (0.42) | — | |
| SCHEMBL5865174 | 0.65 | NOS3 (0.42) | — | |
| SCHEMBL5098524 | 0.65 | NOS3 (0.42) | — | |
| SCHEMBL8446266 | 0.65 | NOS3 (0.42) | — | |
| SCHEMBL5098521 | 0.65 | NOS3 (0.42) | — | |
| SCHEMBL5865181 | 0.65 | NOS3 (0.42) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11795147-B2 | Modulators of complex I | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2023-10-24 | — | — | US | disclosed |
| US-11795147-B2 | Modulators of complex I | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2023-10-24 | — | — | US | disclosed |
| US-20210061761-A1 | MODULATORS OF COMPLEX I | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2021-03-04 | — | — | US | disclosed |
| US-8835422-B2 | Substituted imidazoheterocycle derivatives | CARA THERAPEUTICS, INC. (US) | 2014-09-16 | — | — | US | disclosed |
| US-20120015930-A1 | SUBSTITUTED IMIDAZOHETEROCYCLE DERIVATIVES | CARA THERAPEUTICS, INC. (US) | 2012-01-19 | — | — | US | disclosed |
| WO-2010068520-A2 | SUBSTITUTED IMIDAZOHETEROCYCLE DERIVATIVES | CARA THERAPEUTICS, INC. (US) | 2010-06-17 | — | — | WO | disclosed |
| EP-0789571-A4 | CYCLIC AMIDINE ANALOGS AS INHIBITORS OF NITRIC OXIDE SYNTHASE | MERCK & CO INC (US) | 1999-04-14 | — | — | EP | disclosed |
| EP-0789571-A1 | CYCLIC AMIDINE ANALOGS AS INHIBITORS OF NITRIC OXIDE SYNTHASE | Merck & Co., Inc. (US) | 1997-08-20 | — | — | EP | disclosed |
| WO-1996014844-A1 | CYCLIC AMIDINE ANALOGS AS INHIBITORS OF NITRIC OXIDE SYNTHASE | MERCK & CO., INC. (US) | 1996-05-23 | — | — | WO | disclosed |