⚠ 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 | |
|---|---|---|---|---|
| Azepane SCHEMBL9671876 | 0.97 | ALDH1A1 (0.53) | — | |
| Piperidine SCHEMBL4603677 | 0.97 | ALDH1A1 (0.53) | — | |
| Pyrrolidine SCHEMBL1800837 | 0.87 | — | — | |
| Piperazine SCHEMBL4823909 | 0.87 | MAPT (0.43) | — | |
| Pyrrolidine SCHEMBL1202575 | 0.87 | — | — | |
| Pyrrolidine SCHEMBL28527711 | 0.87 | ALDH1A1 (0.53) | — | |
| Piperidine SCHEMBL2675445 | 0.84 | ALDH1A1 (0.60) | — | |
| Piperidine SCHEMBL3283269 | 0.84 | ALDH1A1 (0.60) | — | |
| Piperazine SCHEMBL3258524 | 0.84 | MAPT (0.40) | — | |
| Pyrrolidine SCHEMBL15387295 | 0.84 | ALDH1A1 (0.50) | — |
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 51 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2250167-A1 | ARYLMETHYLIDENE HETEROCYCLES AS NOVEL ANALGESICS | Chlorion Pharma, Inc. (CA) | 2010-11-17 | — | — | EP | disclosed |
| US-20090275538-A1 | ARYLMETHYLIDENE HETEROCYCLES AS NOVEL ANALGESICS | UNIVERSITE LAVAL (CA) | 2009-11-05 | — | — | US | disclosed |
| WO-2009097695-A1 | ARYLMETHYLIDENE HETEROCYCLES AS NOVEL ANALGESICS | CHLORION PHARMA, INC. (CA) | 2009-08-13 | — | — | WO | disclosed |
| EP-0813867-B1 | Retroviral protease inhibitors | MONSANTO CO (US) | 2005-06-01 | — | — | EP | disclosed |
| US-6420418-B1 | INHIBITION AND PREVENTION OF LEUKOCYTE ADHESION; USED TO TREAT ADHESION-MEDIATED DISEASES SUCH AS ASTHMA, ALLERGIC RHINITIS, MULTIPLE SCLEROSIS; ATHEROSCLEROSIS, AND INFLAMMATORY BOWEL DISEASE | MERCK & CO., INC. | 2002-07-16 | — | — | US | disclosed |
| US-6353099-B1 | USED FOR PREVENTION OR TREATMENT OF DISEASES, DISORDERS, CONDITIONS OR SYMPTOMS MEDIATED BY CELL ADHESION IN MAMMAL | MERCK & CO., INC. | 2002-03-05 | — | — | US | disclosed |
| WO-2001014328-A2 | SUBSTITUTED UREAS AS CELL ADHESION INHIBITORS | MERCK & CO., INC. (US) | 2001-03-01 | — | — | WO | disclosed |
| WO-2001012183-A1 | HETEROCYCLE AMIDES AS CELL ADHESION INHIBITORS | MERCK & CO., INC. (US) | 2001-02-22 | — | — | WO | disclosed |
| EP-0558630-B1 | RETROVIRAL PROTEASE INHIBITORS | MONSANTO CO (US) | 1998-04-08 | — | — | EP | disclosed |
| US-5708004-A | ENZYME INHIBITORS FOR TREATMENT OF AIDS | MONSANTO COMPANY (US) | 1998-01-13 | — | — | US | disclosed |
| US-4883831-A | STABILIZERS CONTAIN TETRAALKYL PIPERIDINE UNITS | ICI AMERICAS INC. (US) | 1989-11-28 | — | — | US | disclosed |
| US-4851461-A | PHOTOSTABILIZERS | ICI AMERICAS INC. (US) | 1989-07-25 | — | — | US | disclosed |
| EP-0291239-A2 | Glutarate based stabilisers for plastics | ICI AMERICAS INC. (US) | 1988-11-17 | — | — | EP | disclosed |
| US-4701485-A | Malonate-based light stabilizers for plastics | ICI AMERICAS INC. (US) | 1987-10-20 | — | — | US | disclosed |
| EP-0220034-A2 | Malonate derivatives useful as light stabilizers for plastics | ICI AMERICAS INC. (US) | 1987-04-29 | — | — | EP | disclosed |
| US-4507291-A | Arthropod repellents | ROHM AND HAAS COMPANY (US) | 1985-03-26 | — | — | US | disclosed |
| US-4405630-A | AZASPIRO COMPOUNDS | ROHM AND HAAS COMPANY (US) | 1983-09-20 | — | — | US | disclosed |
| US-4400512-A | INSECT REPELLENTS | ROHM AND HAAS COMPANY (US) | 1983-08-23 | — | — | US | disclosed |
| US-4374991-A | INSECT REPELLENTS | ROHM AND HAAS COMPANY (US) | 1983-02-22 | — | — | US | disclosed |
| US-4357471-A | INSECT REPELLENTS | ROHM AND HAAS COMPANY (US) | 1982-11-02 | — | — | US | disclosed |