⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11299329 | 0.67 | — | — | |
| SCHEMBL10195886 | 0.67 | — | — | |
| SCHEMBL882821 | 0.67 | — | — | |
| SCHEMBL1163765 | 0.67 | — | — | |
| SCHEMBL6957444 | 0.64 | — | — | |
| SCHEMBL1200848 | 0.64 | ALDH1A1 (0.50) | — | |
| SCHEMBL14802032 | 0.64 | — | — | |
| SCHEMBL14190489 | 0.64 | — | — | |
| SCHEMBL222348 | 0.64 | — | — | |
| SCHEMBL4801208 | 0.64 | — | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2540783-A1 | Ink composition, ink container, and ink jet recording method | Fujifilm Corporation (JP) | 2013-01-02 | — | — | EP | disclosed |
| EP-2159216-B1 | 3-BUTENYL-1-AMINE DERIVATIVES AND THEIR USE AS Ih MODULORS FOR THE TREATMENT OF PSYCHIATIRC DISORDERS | ORGANON NV (NL) | 2011-10-12 | — | — | EP | disclosed |
| EP-2159216-A1 | Ih - Modulators | N.V. Organon (NL) | 2010-03-03 | — | — | EP | disclosed |
| US-20040229910-A1 | Therapeutic compounds | N.V. ORGANON (NL) | 2004-11-18 | — | — | US | disclosed |
| US-20020037885-A1 | Therapeutic compounds | DIJCKS FREDERICUS ANTONIUS (NL) | 2002-03-28 | — | — | US | disclosed |
| US-6313139-B1 | ADMINISTERING BENZYLAMINE DERIVATIVE FOR THERAPY OF PSYCHIATRIC DISORDER IN MAMMALS | AKZO NOBEL N. V. (NL) | 2001-11-06 | — | — | US | disclosed |
| US-6080773-A | USEFUL FOR TREATMENT OF DEPRESSION, ANXIETY OR PSYCHOSIS | AKZO NOBEL, N.V. (NL) | 2000-06-27 | — | — | US | disclosed |
| US-4238623-A | 5,6-Benzo analogues of prostaglandin | MILES LABORATORIES, INC. (US) | 1980-12-09 | — | — | US | disclosed |
| US-4100352-A | Cyclohexanone-5,6-benzo analogues of prostaglandin | MILES LABORATORIES, INC. (US) | 1978-07-11 | — | — | US | disclosed |
| US-4100353-A | 5,6-Benza analogues of prostaglandin F | MILES LABORATORIES, INC. (US) | 1978-07-11 | — | — | US | disclosed |
| US-4097516-A | 5,6-Benzo analogues of prostaglandin E | MILES LABORATORIES, INC. (US) | 1978-06-27 | — | — | US | disclosed |
| US-4096336-A | OXYTOCICS, ANTIULCER, BRONCHODILATION, ANTICOAGULANT, HYPOTENSIVE | MILES LABORATORIES, INC. (US) | 1978-06-20 | — | — | US | disclosed |