⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL499167 | 0.98 | GAA (0.47) | — | |
| SCHEMBL1545361 | 0.78 | ALDH1A1 (0.46) | — | |
| SCHEMBL5642898 | 0.77 | RAB9A (0.50) | — | |
| Hydrochloric Acid SCHEMBL6378258 | 0.76 | ALDH1A1 (0.44) | — | |
| SCHEMBL19311826 | 0.75 | CES2 (0.43) | — | |
| SCHEMBL8170661 | 0.75 | — | — | |
| SCHEMBL4572039 | 0.74 | — | — | |
| SCHEMBL28738208 | 0.74 | KMT2A (0.67) | — | |
| SCHEMBL10205473 | 0.74 | — | — | |
| SCHEMBL497126 | 0.74 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140163016-A1 | BENZOXAZINES, BENZOTHIAZINES, AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY | NEURAXON, INC. (CA) | 2014-06-12 | — | — | US | disclosed |
| US-20120122855-A1 | BENZOXAZINES, BENZOTHIAZINES, AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY | NEURAXON, INC. (CA) | 2012-05-17 | — | — | US | disclosed |
| EP-0388528-B1 | Carboximidamide derivatives | KIRIN BREWERY (JP) | 1995-09-27 | — | — | EP | disclosed |
| US-5272164-A | Carboximidamide derivatives | KIRIN BEER KABUSHIKI KAISHA (JP) | 1993-12-21 | — | — | US | disclosed |
| US-5223508-A | Hypotensive agents, vasodilators | KIRIN BEER KABUSHIKI KAISHA (JP) | 1993-06-29 | — | — | US | disclosed |
| US-5166347-A | Hypotensive agents, cardiovascular disorders, antiischemic agents and anticoagulants | KIRIN BEER KABUSHIKI KAISHA (JP) | 1992-11-24 | — | — | US | disclosed |
| EP-0388528-A2 | Carboximidamide derivatives | KIRIN BEER KABUSHIKI KAISHA (JP) | 1990-09-26 | — | — | EP | disclosed |
| US-4073783-A | PENICILLINS | PFIZER INC. (US) | 1978-02-14 | — | — | US | disclosed |
| US-4025506-A | PENICILLINS | PFIZER INC. (US) | 1977-05-24 | — | — | US | disclosed |
| US-4025504-A | PENICILLINS | PFIZER INC. (US) | 1977-05-24 | — | — | US | disclosed |
| US-3951952-A | 6-(ALPHA-(AMIDINO-AND IMIDOYLAMINOALKANOYLAMINO)ARACYLAMINO)-PENICILLANIC ACIDS | PFIZER INC. (US) | 1976-04-20 | — | — | US | disclosed |