SCHEMBL580581

SCHEMBL580581

O=C=N[C@H]1CC[C@@H](N=C=O)CC1

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.72
APLNR P35414 1/20 0.47
EPHX1 P07099 1/20 0.38
HIF1A Q16665 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL247292 1.00
SCHEMBL9642004 1.00 ALDH1A1 (0.72) ALDH1A1APLNREPHX1HIF1ACYP3A4
SCHEMBL19444447 1.00 ALDH1A1 (0.72) ALDH1A1APLNREPHX1HIF1ACYP3A4
SCHEMBL174369 1.00 ALDH1A1 (0.72) ALDH1A1APLNREPHX1HIF1ACYP3A4
SCHEMBL21378 1.00 ALDH1A1 (0.72) ALDH1A1APLNREPHX1HIF1ACYP3A4
Hydrochloric Acid SCHEMBL27774077 0.97
Cyclohexane SCHEMBL28340312 0.94 ALDH1A1 (0.83) ALDH1A1APLNREPHX1HIF1ACYP3A4
SCHEMBL23743466 0.91 ALDH1A1 (0.62) ALDH1A1APLNREPHX1HIF1ACYP3A4
SCHEMBL19818199 0.91 ALDH1A1 (0.79) ALDH1A1APLNREPHX1HIF1ACYP3A4
SCHEMBL17208967 0.91 ALDH1A1 (0.79) ALDH1A1APLNREPHX1HIF1ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2922888-B1 HIGH STRENGTH POLYISOBUTYLENE POLYURETHANES UNIV MASSACHUSETTS (US) 2021-08-18 EP claimed
US-10562998-B2 High strength polyisobutylene polyurethanes UNIVERSITY OF MASSACHUSETTS (US) 2020-02-18 US claimed
US-20180208698-A1 High Strength Polyisobutylene Polyurethanes UNIV MASSACHUSETTS (US) 2018-07-26 US claimed
US-9926399-B2 High strength polyisobutylene polyurethanes UNIVERSITY OF MASSACHUSETTS (US) 2018-03-27 US claimed
US-9574043-B2 Polyisobutylene-based polyurethanes UNIVERSITY OF MASSACHUSETTS LOWELL (US) 2017-02-21 US claimed
EP-2623571-B1 AQUEOUS POLYURETHANE RESIN COMPOSITION FOR FLAME RETARDANT COATED MATERIALS AND COATED PRODUCTS OBTAINED BY APPLYING SAID COMPOSITION ADEKA CORP (JP) 2016-06-22 EP claimed
US-20150274876-A1 HIGH STRENGTH POLYISOBUTYLENE POLYURETHANES UNIVERSITY OF MASSACHUSETTS 2015-10-01 US claimed
EP-2922888-A2 HIGH STRENGTH POLYISOBUTYLENE POLYURETHANES The University of Massachusetts (US) 2015-09-30 EP claimed
WO-2014081916-A2 HIGH STRENGTH POLYISOBUTYLENE POLYURETHANES UNIVERSITY OF MASSACHUSETTS (US) 2014-05-30 WO claimed
EP-2385960-A1 POLYISOBUTYLENE-BASED POLYURETHANES UNIVERSITY OF MASSACHUSETTS LOWELL (US) 2011-11-16 EP claimed
WO-2010081132-A1 POLYISOBUTYLENE-BASED POLYURETHANES UNIVERSITY OF MASSACHUSETTS LOWELL (US) 2010-07-15 WO claimed
US-20100179298-A1 Polyisobutylene-Based Polyurethanes UNIVERSITY OF MASSACHUSETTS LOWELL (US) 2010-07-15 US claimed
US-6627724-B2 Polysiloxane-containing polyurethane elastomeric compositions AORTECH BIOMATERIALS PTY LTD (AU) 2003-09-30 US claimed
EP-1254916-A2 Polysiloxane-containing polyurethane elastomeric compositions AorTech Biomaterials Pty Ltd (AU) 2002-11-06 EP claimed
US-6313254-B1 POLYETHER AND/OR POLYCARBONATE MACRODIOL-DERIVED SOFT SEGMENT; MEDICAL EQUIPMENT, IMPLANTS, PROSTHETICS; ENZYME AND OXIDATION RESISTANCE; CATHETERS CARDIAC CRC NOMINEES PTY LTD (AU) 2001-11-06 US claimed
US-4203916-A Preparation of trans cyclohexane 1,4 diisocyanate AKZONA INCORPORATED (US) 1980-05-20 US claimed
CN-118302297-A Decorative film with cover film, method for manufacturing the same, and method for mounting the same 3M创新有限公司 2024-07-05 CN disclosed
CN-117801648-A Aqueous resin coating composition, heat ray shielding film using same, and method for producing same 株式会社ADEKA 2024-04-02 CN disclosed
US-5086150-A Polyurethane-ureas BAYER AKTIENGESELLSCHAFT (DE) 1992-02-04 US disclosed
EP-0421215-A2 Process for the preparation of light and exhaust gas resistant PUH elastomer fibres and films and the elastomer fibres with the corresponding composition BAYER AG (DE) 1991-04-10 EP disclosed