SCHEMBL5376291

SCHEMBL5376291

O=[N+]([O-])C1CCC([N+](=O)[O-])CC1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GSR P00390 1/20 0.32
CA5A P35218 1/20 0.31
CA5B Q9Y2D0 1/20 0.31
ALDH1A1 P00352 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL11049355 1.00 TSHR (0.33) TSHRMEN1KMT2AGSRCA5A
SCHEMBL251470 1.00
SCHEMBL264006 0.86
SCHEMBL264764 0.86
SCHEMBL27701175 0.86 GSR (0.31) TSHRGSR
SCHEMBL15688967 0.85
SCHEMBL11837270 0.85
SCHEMBL254925 0.85 MEN1 (0.33) MEN1KMT2AALDH1A1
SCHEMBL9242242 0.85 GSR (0.36) TSHRGSRCA5ACA5B
SCHEMBL14327294 0.85 TSHR (0.32) TSHR

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7195799-B2 Polymer composition for traction on ice THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2007-03-27 US disclosed
US-20050070681-A1 Polymer composition for traction on ice BOARD OF REGENTS, THE UNIVERITY OF TEXAS SYSTEM 2005-03-31 US disclosed
EP-0129759-B1 METHOD FOR THE PRODUCTION OF URETHANES BAYER AG (DE) 1987-05-06 EP disclosed
US-4593116-A Reacting an organic nitro compound with a compound containing at least one hydroxy group in presence of carbon monoxide, hydrogen and catalyst system BAYER AKTIENGESELLSCHAFT (DE) 1986-06-03 US disclosed
EP-0129759-A2 Method for the production of urethanes BAYER AG (DE) 1985-01-02 EP disclosed
US-4486603-A Preparation of trans cyclohexane 1,4-diamine AKZONA INCORPORATED (US) 1984-12-04 US disclosed
US-4467114-A Preparation of trans cyclohexane 1,4-diurea AKZONA INCORPORATED (US) 1984-08-21 US disclosed
US-4457871-A Preparation of trans cyclohexane,1,4-diisocyanate and related compounds AKZONA INCORPORATED (US) 1984-07-03 US disclosed
US-4439370-A Preparation of trans cyclohexane 1,4-diisocyanate AKZONA INCORPORATED (US) 1984-03-27 US disclosed
US-4418211-A Preparation of trans-cyclohexane-1,4-disulphonyl urea AKZONA INCORPORATED (US) 1983-11-29 US disclosed
EP-0035752-A1 Process for the preparation of urethanes BAYER AG (DE) 1981-09-16 EP disclosed
US-4275223-A Preparation of trans-cyclohexane-1,4-diurethanes AKZONA INCORPORATED (US) 1981-06-23 US disclosed
US-4262130-A Process for the production of urethanes BAYER AKTIENGESELLSCHAFT (DE) 1981-04-14 US disclosed
EP-0005226-B1 PROCESS FOR THE MANUFACTURE OF URETHANES BAYER AG (DE) 1980-11-12 EP disclosed
EP-0016949-A1 Process for preparing urethanes BAYER AG (DE) 1980-10-15 EP disclosed
EP-0016346-A1 Process for preparing urethanes BAYER AG (DE) 1980-10-01 EP disclosed
EP-0014845-A1 Process for the preparation of urethanes BAYER AG (DE) 1980-09-03 EP disclosed
US-4219661-A FROM THE NITRO COMPOUND BAYER AKTIENGESELLSCHAFT (DE) 1980-08-26 US disclosed
US-4203916-A Preparation of trans cyclohexane 1,4 diisocyanate AKZONA INCORPORATED (US) 1980-05-20 US disclosed
EP-0005226-A1 Process for the manufacture of urethanes BAYER AG (DE) 1979-11-14 EP disclosed