⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5048806 | 1.00 | — | — | |
| Acetonitrile SCHEMBL1330624 | 0.59 | — | — | |
| Acetonitrile SCHEMBL1330705 | 0.59 | — | — | |
| Acetonitrile SCHEMBL6693864 | 0.59 | — | — | |
| Acetonitrile SCHEMBL10524251 | 0.59 | TSHR (0.36) | — | |
| Acetonitrile SCHEMBL10523138 | 0.59 | — | — | |
| Acetonitrile SCHEMBL1331294 | 0.59 | — | — | |
| Acetonitrile SCHEMBL2562219 | 0.59 | TSHR (0.36) | — | |
| Acetonitrile SCHEMBL10051948 | 0.59 | — | — | |
| Acetonitrile SCHEMBL508545 | 0.59 | — | — |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0937045-B1 | N-ARYL SUBSTITUTED TETRAHYDROQUINOLINES LIGANDS FOR RETINOID RECEPTORS HAVING AGONIST, ANTAGONIST OR INVERSE AGONIST TYPE ACTIVITY | ALLERGAN INC (US) | 2004-04-28 | — | — | EP | disclosed |
| US-6660755-B2 | Controlling cell proliferation agent; skin disorders; antiinflamamtory agents | ALLERGAN, INC. | 2003-12-09 | — | — | US | disclosed |
| US-20030109687-A1 | Substituted diaryl or diheteroaryl methans, ethers and amines having retinoid agonist, antagonist or inverse agonist type biological activity | ALLERGAN, INC. | 2003-06-12 | — | — | US | disclosed |
| US-6455697-B2 | Substituted phenyluracils | BAYER AKTIENGESELLSCHAFT (DE) | 2002-09-24 | — | — | US | disclosed |
| US-6455701-B1 | SUCH AS 4-((4'-TERT-BUTYL-3'-(4?-TRIFLUOROMETHYL)PHENOXY) PHENYLETHYNYL)BENZOIC ACID; SIDE EFFECT REDUCTION | ALLERGAN, INC. | 2002-09-24 | — | — | US | disclosed |
| EP-0843667-B1 | SUBSTITUTED PHENYLURACILS | BAYER AG (DE) | 2001-10-17 | — | — | EP | disclosed |
| US-6251828-B1 | HERBICIDE FOR TOTAL CONTROL OF WEEDS | BAYER AKTIENGESELLSCHAFT (DE) | 2001-06-26 | — | — | US | disclosed |
| US-20010003732-A1 | 1-(4-cyano-2-fluoro-5-(2-chloro-2-methoxycarbonylethyl) -phenyl)-3,6-dihydro-2,6-dioxo-3-methyl-4-trifluoromethyl-1-(2H)-pyrimidine, for example; use as herbicides; chemical intermediates and method of synthesis | ANDREE ROLAND (DE) | 2001-06-14 | — | — | US | disclosed |
| US-6235923-B1 | RETINOIDS AND CELL DIFFERENTIATION | ALLERGAN SALES, INC. | 2001-05-22 | — | — | US | disclosed |
| US-6225494-B1 | TREATING SKIN DISORDERS, REDUCED SIDE EFFECTS | ALLERGAN SALES, INC. | 2001-05-01 | — | — | US | disclosed |
| US-6187950-B1 | A REGULATORS OF CELL PROLIFERATION AND DIFFERENTIATION, FOR TREATING SKIN-RELATED DISEASES, INCLUDING, ACTINIC KERATOSES, ARSENIC KERATOSES, INFLAMMATORY AND NON-INFLAMMATORY ACNE, PSORIASIS, ICHTHYOSES | ALLERGAN, INC. | 2001-02-13 | — | — | US | disclosed |
| US-6037488-A | COMPOUNDS SUCH AS 4-((4'-ISOPROPOXY-3'-(1-M-TOLYL)VINYL)PHENYLETHYNYL)BENZOIC ACID | ALLERGAN SALES, INC. (US) | 2000-03-14 | — | — | US | disclosed |
| EP-0975573-A1 | TRISUBSTITUTED PHENYL DERIVATIVES HAVING RETINOID AGONIST, ANTAGONIST OR INVERSE AGONIST TYPE BIOLOGICAL ACTIVITY | Allergan Sales, Inc. (US) | 2000-02-02 | — | — | EP | disclosed |
| EP-0937045-A1 | N-ARYL SUBSTITUTED TETRAHYDROQUINOLINES LIGANDS FOR RETINOID RECEPTORS HAVING AGONIST, ANTAGONIST OR INVERSE AGONIST TYPE ACTIVITY | Allergan Sales, Inc. (US) | 1999-08-25 | — | — | EP | disclosed |
| US-5919970-A | Substituted diaryl or diheteroaryl methanes, ethers and amines having retinoid agonist, antagonist or inverse agonist type biological activity | ALLERGAN SALES, INC. (US) | 1999-07-06 | — | — | US | disclosed |
| WO-1998047854-A1 | TRISUBSTITUTED PHENYL DERIVATIVES HAVING RETINOID AGONIST, ANTAGONIST OR INVERSE AGONIST TYPE BIOLOGICAL ACTIVITY | ALLERGAN SALES, INC. (US) | 1998-10-29 | — | — | WO | disclosed |
| WO-1998019999-A1 | N-ARYL SUBSTITUTED TETRAHYDROQUINOLINES LIGANDS FOR RETINOID RECEPTORS HAVING AGONIST, ANTAGONIST OR INVERSE AGONIST TYPE ACTIVITY | ALLERGAN SALES, INC. (US) | 1998-05-14 | — | — | WO | disclosed |
| US-5739338-A | SKIN DISORDERS, ANTIINFLAMMATORY AGENTS, ANTITUMOR AGENTS, VISION DEFECTS, VIRICIDES, IMMUNOSUPPRESSANTS | ALLERGAN (US) | 1998-04-14 | — | — | US | disclosed |