⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL208858 | 0.56 | — | — | |
| SCHEMBL2405580 | 0.55 | — | — | |
| SCHEMBL16467921 | 0.53 | — | — | |
| Biphenyl SCHEMBL27498009 | 0.39 | ALDH1A1 (0.82) | — | |
| Water SCHEMBL27675468 | 0.37 | — | — | |
| Naphthalene SCHEMBL1652419 | 0.35 | CYP2A6 (0.89) | — | |
| SCHEMBL14354393 | 0.32 | — | — | |
| Benzene SCHEMBL10953244 | 0.32 | TSHR (0.75) | — | |
| Benzene SCHEMBL18095087 | 0.32 | — | — | |
| Benzene SCHEMBL8992260 | 0.32 | TSHR (0.75) | — |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5466880-A | Process for preparing ketone enantiomer | PFIZER INC. (US) | 1995-11-14 | — | — | US | claimed |
| US-7618987-B2 | Acylated piperidine derivatives as melanocortin 4-receptor agonists | MERCK & CO., INC. (US) | 2009-11-17 | — | — | US | disclosed |
| US-20070191433-A1 | Acylated piperidine derivatives as melanocortin 4-receptor agonists | MERCK SHARP & DOHME CORP. | 2007-08-16 | — | — | US | disclosed |
| US-7192980-B2 | Certain substituted polyketides, pharmaceutical compositions containing them and their use in treating tumors | NOVARTIS AG (CH) | 2007-03-20 | — | — | US | disclosed |
| US-6972292-B2 | Certain substituted polyketides, pharmaceutical compositions containing them and their use in treating tumors | NOVARTIS AG (CH) | 2005-12-06 | — | — | US | disclosed |
| US-20050049249-A1 | Certain substituted polyketides, pharmaceutical compositions containing them and their use in treating tumors | KINDER FREDERICK R (US) | 2005-03-03 | — | — | US | disclosed |
| US-20030087934-A1 | Certain substituted polyketides, pharmaceutical compositions containing them and their use in treating tumors | PARALLEL WIRELESS, INC. | 2003-05-08 | — | — | US | disclosed |
| US-6506901-B2 | 1-(9H-Carbazol-4-yloxy)-3-((1-(7-trifluoromethyl-quinolin-4-yl) -piperidin-4-lmethyl)-amino)-propan-2-ol, for example; treating diabetes, urinary continence, atherosclerosis, gastrointestinal disorders, glaucoma | WYETH | 2003-01-14 | — | — | US | disclosed |
| US-20020065312-A1 | Aminotetralins as 5-HT1Dalpha agonists | SCHAUS JOHN M (US) | 2002-05-30 | — | — | US | disclosed |
| US-20020037907-A1 | Substituted 2- (S) -hydroxy-3- (piperidin-4-yl-methylamino) -propyl ethers and substituted 2-aryl-2- (R) - hydroxy-1- (piperidin-4-yl-methyl) -ethylamine beta-3 adrenergic receptor agonists | AMERICAN HOME PRODUCTS CORPORATION (US) | 2002-03-28 | — | — | US | disclosed |
| US-6355674-B1 | PSYCHOLOGICAL DISORDERS; ANTISEROTONINE AGENTS | ELI LILLY AND COMPANY | 2002-03-12 | — | — | US | disclosed |
| US-5576442-A | Process and chiral intermediates for thiazole antidiabetics | PFIZER INC. (US) | 1996-11-19 | — | — | US | disclosed |
| US-5536747-A | ENZYME INHIBITORS | SYNTEX (U.S.A.) INC. (US) | 1996-07-16 | — | — | US | disclosed |
| US-5466880-A | Process for preparing ketone enantiomer | PFIZER INC. (US) | 1995-11-14 | — | — | US | disclosed |
| EP-0624152-A1 | PROCESS FOR PREPARING KETONE ENANTIOMER. | PFIZER (US) | 1994-11-17 | — | — | EP | disclosed |
| WO-1993012062-A1 | PROCESS FOR PREPARING KETONE ENANTIOMER | PFIZER INC. (US) | 1993-06-24 | — | — | WO | disclosed |