⚠ 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 | |
|---|---|---|---|---|
| 1,2,3-Trichloropropane SCHEMBL19623 | 0.95 | — | — | |
| 1,2,3-Trichloropropane SCHEMBL9165802 | 0.90 | — | — | |
| 1,2,3-Trichloropropane SCHEMBL28332200 | 0.90 | — | — | |
| 1,2,3-Trichloropropane SCHEMBL9420254 | 0.90 | — | — | |
| 1,2,3-Trichloropropane SCHEMBL28546324 | 0.82 | TSHR (0.47) | — | |
| 1,2,3-Trichloropropane SCHEMBL10413199 | 0.79 | TSHR (0.53) | — | |
| Tetrachloroethylene SCHEMBL10611550 | 0.79 | TSHR (0.53) | — | |
| 1,2,3-Trichloropropane SCHEMBL9682061 | 0.79 | TSHR (0.44) | — | |
| SCHEMBL7516996 | 0.76 | TP53 (0.50) | — | |
| SCHEMBL3339709 | 0.76 | — | — |
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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9593109-B2 | Bicyclic agonists of GPR131 and uses thereof | CYMABAY THERAPEUTICS, INC. (US) | 2017-03-14 | — | — | US | disclosed |
| EP-3082801-A1 | AN ADVANCED AND COST-EFFECTIVE PROCESS FOR PREPARING HIGHLY PURE VILDAGLIPTIN | Harman Finochem Limited (IN) | 2016-10-26 | — | — | EP | disclosed |
| WO-2015092806-A1 | AN ADVANCED AND COST-EFFECTIVE PROCESS FOR PREPARING HIGHLY PURE VILDAGLIPTIN | HARMAN FINOCHEM LIMITED (IN) | 2015-06-25 | — | — | WO | disclosed |
| US-20130059845-A1 | BICYCLIC AGONISTS OF GPR131 AND USES THEREOF | METABOLEX, INC. | 2013-03-07 | — | — | US | disclosed |
| WO-2013032939-A1 | BICYCLIC AGONISTS OF GPR131 AND USES THEREOF | METABOLEX, INC. (US) | 2013-03-07 | — | — | WO | disclosed |
| US-20080220536-A1 | Methods for Identifying Compounds that Modulate Enzymatic Activities by Employing Covalently Bonded Target-Extender Complexes with Ligand Candidates | ERIANSON DANIEL A | 2008-09-11 | — | — | US | disclosed |
| US-7214487-B2 | Methods for identifying compounds that modulate enzymatic activities by employing covalently bonded target-extender complexes with ligand candidates | SUNESIS PHARMACEUTICALS, INC. (US) | 2007-05-08 | — | — | US | disclosed |
| US-7105677-B2 | Processes for the preparation of antiviral 7-azaindole derivatives | BRISTOL-MYERS SQUIBB COMPANY (US) | 2006-09-12 | — | — | US | disclosed |
| EP-1487450-A4 | PROCESS FOR THE PREPARATION OF ANTIVIRAL 7-AZAINDOLE DERIVATIVES | BRISTOL MYERS SQUIBB CO (US) | 2006-08-30 | — | — | EP | disclosed |
| US-6884889-B2 | Processes for the preparation of antiviral 7-azaindole derivatives | BRISTOL-MYERS SQUIBB CO. (US) | 2005-04-26 | — | — | US | disclosed |
| WO-1995021161-A1 | CHLOROPYRIMIDE INTERMEDIATES | THE WELLCOME FOUNDATION LIMITED (GB) | 1995-08-10 | — | — | WO | disclosed |
| US-4368198-A | BACTERICIDES ESPECIALLY ANTI-PSEUDOMONAS | SUMITOMO CHEMICAL COMPANY LIMITED (JP) | 1983-01-11 | — | — | US | disclosed |
| US-4302454-A | Cephalosporins | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1981-11-24 | — | — | US | disclosed |
| US-4226863-A | BACTERICIDES, ANTIBIOTICS | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1980-10-07 | — | — | US | disclosed |
| US-4165373-A | ANTIBIOTICS | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1979-08-21 | — | — | US | disclosed |
| US-4160087-A | BACTERICIDES | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1979-07-03 | — | — | US | disclosed |
| US-4156724-A | N-acylamino-alpha-arylacetamido cephalosporins and antibacterial compositions and methods containing them | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1979-05-29 | — | — | US | disclosed |
| US-4125611-A | MICROBIOCIDES | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1978-11-14 | — | — | US | disclosed |
| US-4117126-A | 7-(α-(4-Hydroxy-1,5-naphthyridine-3-carbonamido)-α-phenylacetamido) cephalosporin derivatives | SUMITOMO CHEMICAL COMPANY, LTD. (JP) | 1978-09-26 | — | — | US | disclosed |
| US-4061748-A | BACTERICIDE | SUMITOMO CHEMICAL COMPANY, LIMITED (JA) | 1977-12-06 | — | — | US | disclosed |