⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8624879 | 0.93 | ALDH1A1 (0.33) | — | |
| SCHEMBL8624073 | 0.84 | — | — | |
| SCHEMBL8619794 | 0.78 | CYP19A1 (0.33) | — | |
| SCHEMBL8622752 | 0.72 | GRIN2D (0.35) | — | |
| SCHEMBL9663044 | 0.71 | ALDH1A1 (0.35) | — | |
| SCHEMBL4759700 | 0.71 | ALDH1A1 (0.35) | — | |
| SCHEMBL20494599 | 0.70 | MME (0.34) | — | |
| SCHEMBL12194088 | 0.67 | — | — | |
| SCHEMBL11457549 | 0.65 | GRIN1 (0.34) | — | |
| SCHEMBL8619365 | 0.65 | CYP19A1 (0.32) | — |
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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170283434-A1 | NK1 ANTAGONISTS | OPKO HEALTH INC (US) | 2017-10-05 | — | — | US | disclosed |
| US-9688693-B2 | NK1 antagonists | OPKO HEALTH, INC. (US) | 2017-06-27 | — | — | US | disclosed |
| US-20140336158-A1 | NK1 ANTAGONISTS | TERSERA THERAPEUTICS LLC | 2014-11-13 | — | — | US | disclosed |
| US-8796299-B2 | NK1 antagonists | OPKO HEALTH, INC. (US) | 2014-08-05 | — | — | US | disclosed |
| US-20130023503-A1 | NK1 ANTAGONISTS | OPKO HEALTH, INC. (US) | 2013-01-24 | — | — | US | disclosed |
| US-8273895-B2 | NK1 antagonists | OPKO HEALTH, INC. (US) | 2012-09-25 | — | — | US | disclosed |
| US-20110098468-A1 | NK1 ANTAGONISTS | OPKO HEALTH, INC. (US) | 2011-04-28 | — | — | US | disclosed |
| US-7902366-B2 | NK1 antagonists | OPKO HEALTH, INC. (US) | 2011-03-08 | — | — | US | disclosed |
| US-20070208001-A1 | Modulators of 11- beta hydroxyl steroid dehydrogenase type 1, pharmaceutical compositions thereof, and methods of using the same | INCYTE CORPORATION | 2007-09-06 | — | — | US | disclosed |
| CN-1047173-C | Optically active beta-aminoalkoxyborane complexes | NISSAN CHEMICAL IND LTD (JP) | 1999-12-08 | — | — | CN | disclosed |
| US-5852221-A | Optically active β-aminoalkoxyborane complex | NISSAN CHEMICAL INDUSTRIES LTD. (JP) | 1998-12-22 | — | — | US | disclosed |
| US-5808098-A | REDUCING AGENT FROM AMINOALCOHOL | NISSAN CHEMICAL INDUSTRIES LTD. (JP) | 1998-09-15 | — | — | US | disclosed |
| EP-0680484-B1 | OPTICALLY ACTIVE BETA-AMINOALKOXYBORANE COMPLEXES | NISSAN CHEMICAL IND LTD (JP) | 1998-08-19 | — | — | EP | disclosed |
| US-5786485-A | REACTING OPTICALLY ACTIVE BETA-AMINOALCOHOL WITH BORANE REAGENT TO PRODUCE OPTICALLY ACTIVE BETA-AMINOALKOXYBORANE COMPLEX | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 1998-07-28 | — | — | US | disclosed |
| US-5767277-A | REDUCING AGENT FOR A CARBONYL COMPOUND TO PRODUCE A 1,3-SYN-DIOL COMPOUND | NISSAN CHEMICAL INDUSTRIES LTD. (JP) | 1998-06-16 | — | — | US | disclosed |
| US-5739347-A | REDUCING AGENTS FOR DECARBONYLATION | NISSAN CHEMICAL INDUSTRIES LTD. (JP) | 1998-04-14 | — | — | US | disclosed |
| US-5663348-A | REDUCTION OF DIKETONE WITH AMINOALKOXYBORANE COMPLEX TO FORM DIALCOHOL ESTER COMPOUND | NISSAN CHEMICAL INDUSTRIES LTD. (JP) | 1997-09-02 | — | — | US | disclosed |
| CN-1116850-A | Optically active beta-aminoalkoxyborane complexes | NISSAN CHEMICAL IND LTD (JP) | 1996-02-14 | — | — | CN | disclosed |
| EP-0680484-A1 | OPTICALLY ACTIVE $g(b)-AMINOALKOXYBORANE COMPLEX | NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) | 1995-11-08 | — | — | EP | disclosed |
| WO-1994017079-A1 | OPTICALLY ACTIVE β-AMINOALKOXYBORANE COMPLEX | NISSAN CHEMICAL INDUSTRIES LTD. (JP) | 1994-08-04 | — | — | WO | disclosed |