⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4562415 | 0.92 | TSHR (0.57) | — | |
| SCHEMBL606730 | 0.89 | TSHR (0.50) | — | |
| SCHEMBL23477341 | 0.84 | TSHR (0.46) | — | |
| SCHEMBL10792995 | 0.84 | TSHR (0.46) | — | |
| SCHEMBL11525062 | 0.83 | — | — | |
| SCHEMBL10883185 | 0.83 | TSHR (0.75) | — | |
| SCHEMBL896509 | 0.81 | TSHR (0.48) | — | |
| SCHEMBL19063242 | 0.80 | — | — | |
| SCHEMBL10793051 | 0.79 | DNM1 (0.48) | — | |
| SCHEMBL11416179 | 0.79 | DNM1 (0.48) | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4053317-A | N-NITROSO COMPOUND, PHOTOPOLYMERIZABLE COMPOUND | TEIJIN LIMITED (JA) | 1977-10-11 | — | — | US | claimed |
| US-20130028942-A1 | AEROSOLIZED NITRITE AND NITRIC OXIDE-DONATING COMPOUNDS AND USES THEREOF | AIRES PHARMACEUTICALS, INC. (US) | 2013-01-31 | — | — | US | disclosed |
| US-20100162416-A1 | Multi-stage stem cell carcinogenesis | STEMLIFELINE, INC. (US) | 2010-06-24 | — | — | US | disclosed |
| WO-2010037134-A2 | MULTI-STAGE STEM CELL CARCINOGENESIS | STEMLIFELINE, INC. (US) | 2010-04-01 | — | — | WO | disclosed |
| US-20090196930-A1 | AEROSOLIZED NITRITE AND NITRIC OXIDE -DONATING COMPOUNDS AND USES THEREOF | AIRES PHARMACEUTICALS, INC. (US) | 2009-08-06 | — | — | US | disclosed |
| US-5510534-A | Process for reducing the nitrosamine content of herbicides | ATANOR S.A. (AR) | 1996-04-23 | — | — | US | disclosed |
| US-4999279-A | Polyamide, Unsaturated Monomer, Metal (Meth)acrylate, N-Nitrosoamine Compound; Printed Plates | TOYO BOSEKI KABUSHIKI KAISHA (JP) | 1991-03-12 | — | — | US | disclosed |
| US-4675445-A | Process for elimination N-nitrosamines from N-nitrosamine-containing compositions | BASF CORPORATION (US) | 1987-06-23 | — | — | US | disclosed |
| US-4501608-A | STABILIZING DINITROANILINE HERBICIDES BY ADDING A BISULFITE COMPOUND AND AN ALDEHYDE OR KETONE | ELI LILLY AND COMPANY (US) | 1985-02-26 | — | — | US | disclosed |
| EP-0126591-A1 | Dinitroaniline compositions stabilized by incorporation of addition compound of bisulfite and aldehyde or ketone | ELI LILLY AND COMPANY (US) | 1984-11-28 | — | — | EP | disclosed |
| US-4120905-A | FROM 1-CHLORO-2.6-DINITRO-4-(TRIFLUOROMETHYL)BENZENE, BUBBLING WITH GAS ADN BASIC SOLUTION | ELI LILLY AND COMPANY (US) | 1978-10-17 | — | — | US | disclosed |
| US-4053317-A | N-NITROSO COMPOUND, PHOTOPOLYMERIZABLE COMPOUND | TEIJIN LIMITED (JA) | 1977-10-11 | — | — | US | disclosed |